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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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/IRES-af47e250/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IRES-af47e250/inputs/seq.fa: 1
curr_seq: _UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUAAAACAGCCUGUGGGUUGAUCCCACCCACAGGCCCAUUGGGCGCUAGCACUCUGGUAUCACGGUACCUUUGUGCGCCUGUUUUAUACCCCCUCCCCCAACUGUAACUUAGAAGUAACACACACCGAUCAACAGUCAGCGUGGCACACCAGCCACGUUUUGAUCAAGCACUUCUGUUACCCCGGACUGAGUAUCAAUAGACUGCUCACGCGGUU
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 215 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: 1080
n_atoms_counter: 1080
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 215.000000 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: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -866.237715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.237715 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.000
local terms energy: -836.798053
where:
bonds (distance) C4'-P energy: -208.889
bonds (distance) P-C4' energy: -193.245
flat angles C4'-P-C4' energy: -157.858
flat angles P-C4'-P energy: -180.573
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1035.825380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.825380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.825380 (E_RNA)
where:
Base-Base interactions energy: -430.133
where: short stacking energy: -424.135
Base-Backbone interact. energy: -0.872
local terms energy: -604.819661
where:
bonds (distance) C4'-P energy: -127.038
bonds (distance) P-C4' energy: -148.438
flat angles C4'-P-C4' energy: -138.624
flat angles P-C4'-P energy: -93.825
tors. eta vs tors. theta energy: -96.895
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1000.196505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.196505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.196505 (E_RNA)
where:
Base-Base interactions energy: -403.886
where: short stacking energy: -400.981
Base-Backbone interact. energy: -0.126
local terms energy: -596.184724
where:
bonds (distance) C4'-P energy: -136.833
bonds (distance) P-C4' energy: -131.370
flat angles C4'-P-C4' energy: -143.226
flat angles P-C4'-P energy: -92.142
tors. eta vs tors. theta energy: -92.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -960.511200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.511200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.511200 (E_RNA)
where:
Base-Base interactions energy: -355.602
where: short stacking energy: -336.797
Base-Backbone interact. energy: -0.267
local terms energy: -604.642321
where:
bonds (distance) C4'-P energy: -134.711
bonds (distance) P-C4' energy: -136.307
flat angles C4'-P-C4' energy: -139.281
flat angles P-C4'-P energy: -89.231
tors. eta vs tors. theta energy: -105.112
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -873.080727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.080727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.080727 (E_RNA)
where:
Base-Base interactions energy: -50.153
where: short stacking energy: -50.153
Base-Backbone interact. energy: -0.000
local terms energy: -822.927656
where:
bonds (distance) C4'-P energy: -199.451
bonds (distance) P-C4' energy: -188.630
flat angles C4'-P-C4' energy: -158.254
flat angles P-C4'-P energy: -178.772
tors. eta vs tors. theta energy: -97.821
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -871.715476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.715476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.715476 (E_RNA)
where:
Base-Base interactions energy: -50.678
where: short stacking energy: -50.678
Base-Backbone interact. energy: -0.000
local terms energy: -821.037134
where:
bonds (distance) C4'-P energy: -198.946
bonds (distance) P-C4' energy: -188.109
flat angles C4'-P-C4' energy: -158.235
flat angles P-C4'-P energy: -178.639
tors. eta vs tors. theta energy: -97.108
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -868.341872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.341872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.341872 (E_RNA)
where:
Base-Base interactions energy: -46.884
where: short stacking energy: -46.884
Base-Backbone interact. energy: -0.000
local terms energy: -821.457356
where:
bonds (distance) C4'-P energy: -198.243
bonds (distance) P-C4' energy: -189.165
flat angles C4'-P-C4' energy: -158.600
flat angles P-C4'-P energy: -179.006
tors. eta vs tors. theta energy: -96.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -866.752023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.752023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.752023 (E_RNA)
where:
Base-Base interactions energy: -32.113
where: short stacking energy: -32.113
Base-Backbone interact. energy: -0.000
local terms energy: -834.638527
where:
bonds (distance) C4'-P energy: -207.685
bonds (distance) P-C4' energy: -192.984
flat angles C4'-P-C4' energy: -157.131
flat angles P-C4'-P energy: -180.451
tors. eta vs tors. theta energy: -96.388
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -866.751535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.751535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.751535 (E_RNA)
where:
Base-Base interactions energy: -32.113
where: short stacking energy: -32.113
Base-Backbone interact. energy: -0.000
local terms energy: -834.638527
where:
bonds (distance) C4'-P energy: -207.685
bonds (distance) P-C4' energy: -192.984
flat angles C4'-P-C4' energy: -157.131
flat angles P-C4'-P energy: -180.451
tors. eta vs tors. theta energy: -96.388
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -870.811624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.811624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.811624 (E_RNA)
where:
Base-Base interactions energy: -64.276
where: short stacking energy: -64.276
Base-Backbone interact. energy: -0.000
local terms energy: -806.535157
where:
bonds (distance) C4'-P energy: -190.150
bonds (distance) P-C4' energy: -180.154
flat angles C4'-P-C4' energy: -159.145
flat angles P-C4'-P energy: -176.607
tors. eta vs tors. theta energy: -100.480
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -870.003802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.003802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.003802 (E_RNA)
where:
Base-Base interactions energy: -59.387
where: short stacking energy: -59.387
Base-Backbone interact. energy: -0.000
local terms energy: -810.616999
where:
bonds (distance) C4'-P energy: -194.729
bonds (distance) P-C4' energy: -181.904
flat angles C4'-P-C4' energy: -158.691
flat angles P-C4'-P energy: -176.472
tors. eta vs tors. theta energy: -98.821
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1061.782631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.782631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.782631 (E_RNA)
where:
Base-Base interactions energy: -458.203
where: short stacking energy: -438.549
Base-Backbone interact. energy: -0.805
local terms energy: -602.774497
where:
bonds (distance) C4'-P energy: -133.131
bonds (distance) P-C4' energy: -137.125
flat angles C4'-P-C4' energy: -133.008
flat angles P-C4'-P energy: -93.091
tors. eta vs tors. theta energy: -106.420
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1003.042113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.042113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.042113 (E_RNA)
where:
Base-Base interactions energy: -428.449
where: short stacking energy: -420.780
Base-Backbone interact. energy: 0.185
local terms energy: -574.778562
where:
bonds (distance) C4'-P energy: -114.490
bonds (distance) P-C4' energy: -136.128
flat angles C4'-P-C4' energy: -140.678
flat angles P-C4'-P energy: -82.679
tors. eta vs tors. theta energy: -100.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -922.394066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.394066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.394066 (E_RNA)
where:
Base-Base interactions energy: -369.173
where: short stacking energy: -366.058
Base-Backbone interact. energy: 1.899
local terms energy: -555.119962
where:
bonds (distance) C4'-P energy: -119.672
bonds (distance) P-C4' energy: -144.069
flat angles C4'-P-C4' energy: -129.816
flat angles P-C4'-P energy: -85.043
tors. eta vs tors. theta energy: -76.518
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -863.819732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.819732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.819732 (E_RNA)
where:
Base-Base interactions energy: -366.178
where: short stacking energy: -342.682
Base-Backbone interact. energy: 0.882
local terms energy: -498.524183
where:
bonds (distance) C4'-P energy: -127.664
bonds (distance) P-C4' energy: -133.677
flat angles C4'-P-C4' energy: -119.910
flat angles P-C4'-P energy: -62.542
tors. eta vs tors. theta energy: -54.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -825.587006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.587006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.587006 (E_RNA)
where:
Base-Base interactions energy: -344.652
where: short stacking energy: -329.737
Base-Backbone interact. energy: -0.147
local terms energy: -480.787594
where:
bonds (distance) C4'-P energy: -119.868
bonds (distance) P-C4' energy: -114.274
flat angles C4'-P-C4' energy: -111.592
flat angles P-C4'-P energy: -71.799
tors. eta vs tors. theta energy: -63.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -726.538644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.538644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.538644 (E_RNA)
where:
Base-Base interactions energy: -275.157
where: short stacking energy: -262.713
Base-Backbone interact. energy: -0.375
local terms energy: -451.006168
where:
bonds (distance) C4'-P energy: -100.532
bonds (distance) P-C4' energy: -127.370
flat angles C4'-P-C4' energy: -109.311
flat angles P-C4'-P energy: -71.694
tors. eta vs tors. theta energy: -42.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -651.931765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.931765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.931765 (E_RNA)
where:
Base-Base interactions energy: -243.559
where: short stacking energy: -237.352
Base-Backbone interact. energy: -2.038
local terms energy: -406.334400
where:
bonds (distance) C4'-P energy: -107.790
bonds (distance) P-C4' energy: -105.182
flat angles C4'-P-C4' energy: -108.316
flat angles P-C4'-P energy: -57.742
tors. eta vs tors. theta energy: -27.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -587.906872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.906872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.906872 (E_RNA)
where:
Base-Base interactions energy: -187.991
where: short stacking energy: -167.123
Base-Backbone interact. energy: -1.875
local terms energy: -398.040429
where:
bonds (distance) C4'-P energy: -105.353
bonds (distance) P-C4' energy: -130.648
flat angles C4'-P-C4' energy: -105.343
flat angles P-C4'-P energy: -66.627
tors. eta vs tors. theta energy: 9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -564.581667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.581667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.581667 (E_RNA)
where:
Base-Base interactions energy: -212.505
where: short stacking energy: -187.698
Base-Backbone interact. energy: -0.482
local terms energy: -351.594746
where:
bonds (distance) C4'-P energy: -101.315
bonds (distance) P-C4' energy: -104.963
flat angles C4'-P-C4' energy: -82.238
flat angles P-C4'-P energy: -48.460
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -518.692814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.692814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.692814 (E_RNA)
where:
Base-Base interactions energy: -188.796
where: short stacking energy: -155.405
Base-Backbone interact. energy: 1.328
local terms energy: -331.224843
where:
bonds (distance) C4'-P energy: -117.040
bonds (distance) P-C4' energy: -102.927
flat angles C4'-P-C4' energy: -88.731
flat angles P-C4'-P energy: -42.421
tors. eta vs tors. theta energy: 19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1101.091366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.091366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.091366 (E_RNA)
where:
Base-Base interactions energy: -475.739
where: short stacking energy: -442.761
Base-Backbone interact. energy: 0.478
local terms energy: -625.830312
where:
bonds (distance) C4'-P energy: -135.283
bonds (distance) P-C4' energy: -140.562
flat angles C4'-P-C4' energy: -132.597
flat angles P-C4'-P energy: -95.734
tors. eta vs tors. theta energy: -121.654
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: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1116.087581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.087581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.087581 (E_RNA)
where:
Base-Base interactions energy: -510.369
where: short stacking energy: -472.048
Base-Backbone interact. energy: 0.656
local terms energy: -606.375091
where:
bonds (distance) C4'-P energy: -119.762
bonds (distance) P-C4' energy: -131.307
flat angles C4'-P-C4' energy: -140.984
flat angles P-C4'-P energy: -84.606
tors. eta vs tors. theta energy: -129.716
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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1001.959212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.959212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.959212 (E_RNA)
where:
Base-Base interactions energy: -443.087
where: short stacking energy: -399.382
Base-Backbone interact. energy: -1.327
local terms energy: -557.545099
where:
bonds (distance) C4'-P energy: -123.349
bonds (distance) P-C4' energy: -120.969
flat angles C4'-P-C4' energy: -139.117
flat angles P-C4'-P energy: -87.467
tors. eta vs tors. theta energy: -86.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -873.319192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.319192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.319192 (E_RNA)
where:
Base-Base interactions energy: -379.948
where: short stacking energy: -340.453
Base-Backbone interact. energy: 0.267
local terms energy: -493.637866
where:
bonds (distance) C4'-P energy: -110.685
bonds (distance) P-C4' energy: -129.728
flat angles C4'-P-C4' energy: -109.098
flat angles P-C4'-P energy: -75.404
tors. eta vs tors. theta energy: -68.723
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: 4
Temperature: 1.100000
Total energy: -811.033003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.033003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.033003 (E_RNA)
where:
Base-Base interactions energy: -324.378
where: short stacking energy: -267.337
Base-Backbone interact. energy: -1.455
local terms energy: -485.199402
where:
bonds (distance) C4'-P energy: -124.152
bonds (distance) P-C4' energy: -142.842
flat angles C4'-P-C4' energy: -117.641
flat angles P-C4'-P energy: -48.971
tors. eta vs tors. theta energy: -51.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -718.617472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.617472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.617472 (E_RNA)
where:
Base-Base interactions energy: -255.978
where: short stacking energy: -246.365
Base-Backbone interact. energy: -1.527
local terms energy: -461.112352
where:
bonds (distance) C4'-P energy: -133.235
bonds (distance) P-C4' energy: -121.234
flat angles C4'-P-C4' energy: -100.853
flat angles P-C4'-P energy: -72.902
tors. eta vs tors. theta energy: -32.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -645.851726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.851726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.851726 (E_RNA)
where:
Base-Base interactions energy: -225.994
where: short stacking energy: -211.719
Base-Backbone interact. energy: 5.175
local terms energy: -425.032317
where:
bonds (distance) C4'-P energy: -119.714
bonds (distance) P-C4' energy: -126.913
flat angles C4'-P-C4' energy: -115.120
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -668.421040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.421040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.421040 (E_RNA)
where:
Base-Base interactions energy: -273.209
where: short stacking energy: -213.695
Base-Backbone interact. energy: -1.360
local terms energy: -393.851681
where:
bonds (distance) C4'-P energy: -111.138
bonds (distance) P-C4' energy: -114.614
flat angles C4'-P-C4' energy: -111.447
flat angles P-C4'-P energy: -52.524
tors. eta vs tors. theta energy: -4.130
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: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -567.174587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.174587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.174587 (E_RNA)
where:
Base-Base interactions energy: -195.239
where: short stacking energy: -165.615
Base-Backbone interact. energy: 0.287
local terms energy: -372.222643
where:
bonds (distance) C4'-P energy: -105.359
bonds (distance) P-C4' energy: -106.962
flat angles C4'-P-C4' energy: -94.723
flat angles P-C4'-P energy: -60.480
tors. eta vs tors. theta energy: -4.699
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: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -525.168623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.168623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.168623 (E_RNA)
where:
Base-Base interactions energy: -199.581
where: short stacking energy: -144.560
Base-Backbone interact. energy: 8.025
local terms energy: -333.612472
where:
bonds (distance) C4'-P energy: -92.193
bonds (distance) P-C4' energy: -106.652
flat angles C4'-P-C4' energy: -94.091
flat angles P-C4'-P energy: -63.120
tors. eta vs tors. theta energy: 22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1140.204097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.204097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.204097 (E_RNA)
where:
Base-Base interactions energy: -530.727
where: short stacking energy: -504.092
Base-Backbone interact. energy: -0.579
local terms energy: -608.898639
where:
bonds (distance) C4'-P energy: -122.582
bonds (distance) P-C4' energy: -132.474
flat angles C4'-P-C4' energy: -149.302
flat angles P-C4'-P energy: -85.689
tors. eta vs tors. theta energy: -118.852
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1114.976996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.976996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.976996 (E_RNA)
where:
Base-Base interactions energy: -528.137
where: short stacking energy: -444.710
Base-Backbone interact. energy: 3.277
local terms energy: -590.116659
where:
bonds (distance) C4'-P energy: -127.537
bonds (distance) P-C4' energy: -133.631
flat angles C4'-P-C4' energy: -141.489
flat angles P-C4'-P energy: -81.344
tors. eta vs tors. theta energy: -106.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -966.216991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.216991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.216991 (E_RNA)
where:
Base-Base interactions energy: -405.924
where: short stacking energy: -364.253
Base-Backbone interact. energy: -1.645
local terms energy: -558.647767
where:
bonds (distance) C4'-P energy: -118.554
bonds (distance) P-C4' energy: -136.478
flat angles C4'-P-C4' energy: -149.873
flat angles P-C4'-P energy: -80.499
tors. eta vs tors. theta energy: -73.243
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: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -950.282202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.282202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.282202 (E_RNA)
where:
Base-Base interactions energy: -431.777
where: short stacking energy: -345.349
Base-Backbone interact. energy: -0.753
local terms energy: -517.752047
where:
bonds (distance) C4'-P energy: -123.002
bonds (distance) P-C4' energy: -141.210
flat angles C4'-P-C4' energy: -119.679
flat angles P-C4'-P energy: -76.564
tors. eta vs tors. theta energy: -57.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -788.011593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.011593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.011593 (E_RNA)
where:
Base-Base interactions energy: -311.333
where: short stacking energy: -268.602
Base-Backbone interact. energy: 0.855
local terms energy: -477.533023
where:
bonds (distance) C4'-P energy: -117.446
bonds (distance) P-C4' energy: -123.805
flat angles C4'-P-C4' energy: -101.845
flat angles P-C4'-P energy: -85.171
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: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -735.185125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.185125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.185125 (E_RNA)
where:
Base-Base interactions energy: -287.595
where: short stacking energy: -254.222
Base-Backbone interact. energy: -0.529
local terms energy: -447.061288
where:
bonds (distance) C4'-P energy: -99.841
bonds (distance) P-C4' energy: -128.484
flat angles C4'-P-C4' energy: -110.895
flat angles P-C4'-P energy: -82.781
tors. eta vs tors. theta energy: -25.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -669.414778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.414778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.414778 (E_RNA)
where:
Base-Base interactions energy: -251.242
where: short stacking energy: -195.040
Base-Backbone interact. energy: 4.371
local terms energy: -422.543177
where:
bonds (distance) C4'-P energy: -106.081
bonds (distance) P-C4' energy: -137.445
flat angles C4'-P-C4' energy: -103.226
flat angles P-C4'-P energy: -68.784
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -684.252310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.252310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.252310 (E_RNA)
where:
Base-Base interactions energy: -288.271
where: short stacking energy: -198.954
Base-Backbone interact. energy: -3.191
local terms energy: -392.790729
where:
bonds (distance) C4'-P energy: -128.044
bonds (distance) P-C4' energy: -115.432
flat angles C4'-P-C4' energy: -89.450
flat angles P-C4'-P energy: -62.059
tors. eta vs tors. theta energy: 2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -560.880587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.880587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.880587 (E_RNA)
where:
Base-Base interactions energy: -181.150
where: short stacking energy: -158.439
Base-Backbone interact. energy: 1.549
local terms energy: -381.279832
where:
bonds (distance) C4'-P energy: -115.122
bonds (distance) P-C4' energy: -112.400
flat angles C4'-P-C4' energy: -101.749
flat angles P-C4'-P energy: -65.184
tors. eta vs tors. theta energy: 13.175
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -528.861109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.861109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.861109 (E_RNA)
where:
Base-Base interactions energy: -203.436
where: short stacking energy: -147.802
Base-Backbone interact. energy: 1.608
local terms energy: -327.033279
where:
bonds (distance) C4'-P energy: -96.079
bonds (distance) P-C4' energy: -115.553
flat angles C4'-P-C4' energy: -80.529
flat angles P-C4'-P energy: -56.789
tors. eta vs tors. theta energy: 21.917
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1225.616456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.616456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.616456 (E_RNA)
where:
Base-Base interactions energy: -624.526
where: short stacking energy: -512.512
Base-Backbone interact. energy: 1.989
local terms energy: -603.079303
where:
bonds (distance) C4'-P energy: -128.256
bonds (distance) P-C4' energy: -127.844
flat angles C4'-P-C4' energy: -141.595
flat angles P-C4'-P energy: -82.666
tors. eta vs tors. theta energy: -122.719
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: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1129.550679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.550679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.550679 (E_RNA)
where:
Base-Base interactions energy: -531.704
where: short stacking energy: -471.006
Base-Backbone interact. energy: 2.670
local terms energy: -600.517144
where:
bonds (distance) C4'-P energy: -134.680
bonds (distance) P-C4' energy: -136.183
flat angles C4'-P-C4' energy: -135.169
flat angles P-C4'-P energy: -86.795
tors. eta vs tors. theta energy: -107.690
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: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1111.292362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.292362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.292362 (E_RNA)
where:
Base-Base interactions energy: -528.664
where: short stacking energy: -388.772
Base-Backbone interact. energy: -0.505
local terms energy: -582.123721
where:
bonds (distance) C4'-P energy: -143.464
bonds (distance) P-C4' energy: -140.806
flat angles C4'-P-C4' energy: -124.994
flat angles P-C4'-P energy: -78.340
tors. eta vs tors. theta energy: -94.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -976.662679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.662679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.662679 (E_RNA)
where:
Base-Base interactions energy: -485.094
where: short stacking energy: -334.021
Base-Backbone interact. energy: -0.403
local terms energy: -491.165967
where:
bonds (distance) C4'-P energy: -118.380
bonds (distance) P-C4' energy: -134.945
flat angles C4'-P-C4' energy: -111.209
flat angles P-C4'-P energy: -75.458
tors. eta vs tors. theta energy: -51.175
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: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -892.683679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.683679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.683679 (E_RNA)
where:
Base-Base interactions energy: -402.348
where: short stacking energy: -306.304
Base-Backbone interact. energy: 2.044
local terms energy: -492.379186
where:
bonds (distance) C4'-P energy: -105.821
bonds (distance) P-C4' energy: -130.878
flat angles C4'-P-C4' energy: -123.226
flat angles P-C4'-P energy: -83.076
tors. eta vs tors. theta energy: -49.379
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: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -706.091031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.091031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.091031 (E_RNA)
where:
Base-Base interactions energy: -284.199
where: short stacking energy: -240.867
Base-Backbone interact. energy: 0.480
local terms energy: -422.371830
where:
bonds (distance) C4'-P energy: -118.273
bonds (distance) P-C4' energy: -137.539
flat angles C4'-P-C4' energy: -108.212
flat angles P-C4'-P energy: -43.053
tors. eta vs tors. theta energy: -15.295
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: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -789.499517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.499517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.499517 (E_RNA)
where:
Base-Base interactions energy: -397.918
where: short stacking energy: -283.447
Base-Backbone interact. energy: -0.704
local terms energy: -390.878068
where:
bonds (distance) C4'-P energy: -92.483
bonds (distance) P-C4' energy: -108.445
flat angles C4'-P-C4' energy: -95.831
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -41.998
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: 6
Temperature: 1.250000
Total energy: -606.335847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.335847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.335847 (E_RNA)
where:
Base-Base interactions energy: -225.884
where: short stacking energy: -200.187
Base-Backbone interact. energy: -0.028
local terms energy: -380.424224
where:
bonds (distance) C4'-P energy: -114.617
bonds (distance) P-C4' energy: -110.981
flat angles C4'-P-C4' energy: -94.041
flat angles P-C4'-P energy: -56.876
tors. eta vs tors. theta energy: -3.909
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: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -591.439756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.439756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.439756 (E_RNA)
where:
Base-Base interactions energy: -246.341
where: short stacking energy: -192.581
Base-Backbone interact. energy: 3.867
local terms energy: -348.964793
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -109.447
flat angles C4'-P-C4' energy: -87.244
flat angles P-C4'-P energy: -51.901
tors. eta vs tors. theta energy: -8.444
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: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -514.468683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.468683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.468683 (E_RNA)
where:
Base-Base interactions energy: -191.604
where: short stacking energy: -146.018
Base-Backbone interact. energy: 0.985
local terms energy: -323.850371
where:
bonds (distance) C4'-P energy: -94.469
bonds (distance) P-C4' energy: -118.821
flat angles C4'-P-C4' energy: -93.637
flat angles P-C4'-P energy: -39.085
tors. eta vs tors. theta energy: 22.162
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: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1282.758966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.758966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.758966 (E_RNA)
where:
Base-Base interactions energy: -636.315
where: short stacking energy: -500.716
Base-Backbone interact. energy: -1.155
local terms energy: -645.288101
where:
bonds (distance) C4'-P energy: -131.260
bonds (distance) P-C4' energy: -146.687
flat angles C4'-P-C4' energy: -152.213
flat angles P-C4'-P energy: -87.104
tors. eta vs tors. theta energy: -128.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1091.062994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.062994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.062994 (E_RNA)
where:
Base-Base interactions energy: -505.665
where: short stacking energy: -443.505
Base-Backbone interact. energy: 3.138
local terms energy: -588.535834
where:
bonds (distance) C4'-P energy: -133.887
bonds (distance) P-C4' energy: -128.306
flat angles C4'-P-C4' energy: -134.644
flat angles P-C4'-P energy: -88.115
tors. eta vs tors. theta energy: -103.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1175.688165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.688165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.688165 (E_RNA)
where:
Base-Base interactions energy: -597.591
where: short stacking energy: -426.426
Base-Backbone interact. energy: -1.152
local terms energy: -576.945679
where:
bonds (distance) C4'-P energy: -134.586
bonds (distance) P-C4' energy: -122.593
flat angles C4'-P-C4' energy: -131.108
flat angles P-C4'-P energy: -90.944
tors. eta vs tors. theta energy: -97.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1044.750063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.750063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.750063 (E_RNA)
where:
Base-Base interactions energy: -538.199
where: short stacking energy: -330.681
Base-Backbone interact. energy: -0.708
local terms energy: -505.842900
where:
bonds (distance) C4'-P energy: -128.008
bonds (distance) P-C4' energy: -131.334
flat angles C4'-P-C4' energy: -124.284
flat angles P-C4'-P energy: -74.723
tors. eta vs tors. theta energy: -47.494
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: 7
Temperature: 1.100000
Total energy: -945.548459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.548459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.548459 (E_RNA)
where:
Base-Base interactions energy: -451.450
where: short stacking energy: -326.153
Base-Backbone interact. energy: -1.535
local terms energy: -492.562905
where:
bonds (distance) C4'-P energy: -114.418
bonds (distance) P-C4' energy: -137.708
flat angles C4'-P-C4' energy: -119.881
flat angles P-C4'-P energy: -65.712
tors. eta vs tors. theta energy: -54.843
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: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -848.136273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.136273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.136273 (E_RNA)
where:
Base-Base interactions energy: -403.484
where: short stacking energy: -280.398
Base-Backbone interact. energy: 2.222
local terms energy: -446.874600
where:
bonds (distance) C4'-P energy: -92.845
bonds (distance) P-C4' energy: -136.971
flat angles C4'-P-C4' energy: -112.855
flat angles P-C4'-P energy: -62.864
tors. eta vs tors. theta energy: -41.339
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: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -685.628912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.628912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.628912 (E_RNA)
where:
Base-Base interactions energy: -273.474
where: short stacking energy: -249.642
Base-Backbone interact. energy: 2.158
local terms energy: -414.313581
where:
bonds (distance) C4'-P energy: -104.789
bonds (distance) P-C4' energy: -121.810
flat angles C4'-P-C4' energy: -118.771
flat angles P-C4'-P energy: -41.607
tors. eta vs tors. theta energy: -27.336
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: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -695.236754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.236754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.236754 (E_RNA)
where:
Base-Base interactions energy: -309.676
where: short stacking energy: -210.150
Base-Backbone interact. energy: 1.966
local terms energy: -387.526355
where:
bonds (distance) C4'-P energy: -100.561
bonds (distance) P-C4' energy: -135.958
flat angles C4'-P-C4' energy: -110.014
flat angles P-C4'-P energy: -45.696
tors. eta vs tors. theta energy: 4.702
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: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -594.121593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.121593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.121593 (E_RNA)
where:
Base-Base interactions energy: -224.348
where: short stacking energy: -186.070
Base-Backbone interact. energy: 1.383
local terms energy: -371.156750
where:
bonds (distance) C4'-P energy: -106.307
bonds (distance) P-C4' energy: -112.990
flat angles C4'-P-C4' energy: -109.623
flat angles P-C4'-P energy: -47.569
tors. eta vs tors. theta energy: 5.333
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -516.016229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.016229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.016229 (E_RNA)
where:
Base-Base interactions energy: -199.625
where: short stacking energy: -149.585
Base-Backbone interact. energy: 7.229
local terms energy: -323.619654
where:
bonds (distance) C4'-P energy: -114.296
bonds (distance) P-C4' energy: -101.932
flat angles C4'-P-C4' energy: -84.409
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: 14.970
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: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1343.867978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.867978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.867978 (E_RNA)
where:
Base-Base interactions energy: -707.323
where: short stacking energy: -509.388
Base-Backbone interact. energy: -1.583
local terms energy: -634.961762
where:
bonds (distance) C4'-P energy: -135.858
bonds (distance) P-C4' energy: -146.930
flat angles C4'-P-C4' energy: -129.973
flat angles P-C4'-P energy: -82.240
tors. eta vs tors. theta energy: -139.961
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: 8
Temperature: 0.950000
Total energy: -1077.052918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.052918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.052918 (E_RNA)
where:
Base-Base interactions energy: -497.993
where: short stacking energy: -419.284
Base-Backbone interact. energy: -3.407
local terms energy: -575.652671
where:
bonds (distance) C4'-P energy: -133.808
bonds (distance) P-C4' energy: -144.129
flat angles C4'-P-C4' energy: -128.602
flat angles P-C4'-P energy: -88.758
tors. eta vs tors. theta energy: -80.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1099.569207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.569207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.569207 (E_RNA)
where:
Base-Base interactions energy: -543.209
where: short stacking energy: -372.924
Base-Backbone interact. energy: -1.420
local terms energy: -554.941052
where:
bonds (distance) C4'-P energy: -129.630
bonds (distance) P-C4' energy: -138.073
flat angles C4'-P-C4' energy: -126.857
flat angles P-C4'-P energy: -71.568
tors. eta vs tors. theta energy: -88.814
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: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1139.605058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.605058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.605058 (E_RNA)
where:
Base-Base interactions energy: -605.512
where: short stacking energy: -372.935
Base-Backbone interact. energy: 0.548
local terms energy: -534.641210
where:
bonds (distance) C4'-P energy: -115.545
bonds (distance) P-C4' energy: -129.783
flat angles C4'-P-C4' energy: -132.655
flat angles P-C4'-P energy: -75.327
tors. eta vs tors. theta energy: -81.331
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: 8
Temperature: 1.100000
Total energy: -915.530389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.530389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.530389 (E_RNA)
where:
Base-Base interactions energy: -440.795
where: short stacking energy: -277.058
Base-Backbone interact. energy: -1.535
local terms energy: -473.200527
where:
bonds (distance) C4'-P energy: -111.798
bonds (distance) P-C4' energy: -141.929
flat angles C4'-P-C4' energy: -121.967
flat angles P-C4'-P energy: -68.551
tors. eta vs tors. theta energy: -28.956
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: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -896.481206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.481206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.481206 (E_RNA)
where:
Base-Base interactions energy: -428.988
where: short stacking energy: -273.613
Base-Backbone interact. energy: -3.128
local terms energy: -464.365456
where:
bonds (distance) C4'-P energy: -128.696
bonds (distance) P-C4' energy: -114.194
flat angles C4'-P-C4' energy: -107.174
flat angles P-C4'-P energy: -78.548
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: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -716.350537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.350537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.350537 (E_RNA)
where:
Base-Base interactions energy: -270.583
where: short stacking energy: -222.080
Base-Backbone interact. energy: 2.472
local terms energy: -448.240085
where:
bonds (distance) C4'-P energy: -128.001
bonds (distance) P-C4' energy: -116.891
flat angles C4'-P-C4' energy: -112.870
flat angles P-C4'-P energy: -75.292
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -615.937043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.937043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.937043 (E_RNA)
where:
Base-Base interactions energy: -224.048
where: short stacking energy: -192.522
Base-Backbone interact. energy: -0.816
local terms energy: -391.072993
where:
bonds (distance) C4'-P energy: -110.422
bonds (distance) P-C4' energy: -122.976
flat angles C4'-P-C4' energy: -90.264
flat angles P-C4'-P energy: -74.565
tors. eta vs tors. theta energy: 7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -522.229560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.229560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.229560 (E_RNA)
where:
Base-Base interactions energy: -180.422
where: short stacking energy: -139.009
Base-Backbone interact. energy: 10.109
local terms energy: -351.915951
where:
bonds (distance) C4'-P energy: -103.608
bonds (distance) P-C4' energy: -113.309
flat angles C4'-P-C4' energy: -111.783
flat angles P-C4'-P energy: -56.787
tors. eta vs tors. theta energy: 33.572
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: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -546.935415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.935415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.935415 (E_RNA)
where:
Base-Base interactions energy: -213.742
where: short stacking energy: -162.121
Base-Backbone interact. energy: -2.250
local terms energy: -330.943124
where:
bonds (distance) C4'-P energy: -113.607
bonds (distance) P-C4' energy: -100.279
flat angles C4'-P-C4' energy: -83.258
flat angles P-C4'-P energy: -60.672
tors. eta vs tors. theta energy: 26.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1355.486140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.486140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.486140 (E_RNA)
where:
Base-Base interactions energy: -704.860
where: short stacking energy: -494.473
Base-Backbone interact. energy: -0.554
local terms energy: -650.071418
where:
bonds (distance) C4'-P energy: -126.355
bonds (distance) P-C4' energy: -146.100
flat angles C4'-P-C4' energy: -150.156
flat angles P-C4'-P energy: -97.926
tors. eta vs tors. theta energy: -129.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1214.939380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.939380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.939380 (E_RNA)
where:
Base-Base interactions energy: -604.121
where: short stacking energy: -447.425
Base-Backbone interact. energy: -0.081
local terms energy: -610.737617
where:
bonds (distance) C4'-P energy: -125.973
bonds (distance) P-C4' energy: -140.239
flat angles C4'-P-C4' energy: -151.187
flat angles P-C4'-P energy: -84.325
tors. eta vs tors. theta energy: -109.013
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: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1102.417885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.417885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.417885 (E_RNA)
where:
Base-Base interactions energy: -557.426
where: short stacking energy: -348.112
Base-Backbone interact. energy: -2.481
local terms energy: -542.510852
where:
bonds (distance) C4'-P energy: -133.096
bonds (distance) P-C4' energy: -130.655
flat angles C4'-P-C4' energy: -128.072
flat angles P-C4'-P energy: -75.463
tors. eta vs tors. theta energy: -75.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1185.990777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.990777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.990777 (E_RNA)
where:
Base-Base interactions energy: -662.497
where: short stacking energy: -419.569
Base-Backbone interact. energy: 0.363
local terms energy: -523.856661
where:
bonds (distance) C4'-P energy: -126.136
bonds (distance) P-C4' energy: -125.984
flat angles C4'-P-C4' energy: -107.783
flat angles P-C4'-P energy: -72.589
tors. eta vs tors. theta energy: -91.364
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: 9
Temperature: 1.100000
Total energy: -953.315559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.315559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.315559 (E_RNA)
where:
Base-Base interactions energy: -481.624
where: short stacking energy: -355.912
Base-Backbone interact. energy: -1.096
local terms energy: -470.596153
where:
bonds (distance) C4'-P energy: -90.227
bonds (distance) P-C4' energy: -115.394
flat angles C4'-P-C4' energy: -123.500
flat angles P-C4'-P energy: -92.739
tors. eta vs tors. theta energy: -48.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1013.672689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.672689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.672689 (E_RNA)
where:
Base-Base interactions energy: -558.800
where: short stacking energy: -296.104
Base-Backbone interact. energy: 1.707
local terms energy: -456.579193
where:
bonds (distance) C4'-P energy: -117.819
bonds (distance) P-C4' energy: -130.718
flat angles C4'-P-C4' energy: -118.485
flat angles P-C4'-P energy: -52.690
tors. eta vs tors. theta energy: -36.867
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: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -703.494923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.494923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.494923 (E_RNA)
where:
Base-Base interactions energy: -294.460
where: short stacking energy: -230.200
Base-Backbone interact. energy: 2.358
local terms energy: -411.392688
where:
bonds (distance) C4'-P energy: -113.473
bonds (distance) P-C4' energy: -114.788
flat angles C4'-P-C4' energy: -115.340
flat angles P-C4'-P energy: -57.242
tors. eta vs tors. theta energy: -10.550
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: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -639.952233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.952233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.952233 (E_RNA)
where:
Base-Base interactions energy: -245.375
where: short stacking energy: -187.655
Base-Backbone interact. energy: 1.126
local terms energy: -395.703377
where:
bonds (distance) C4'-P energy: -121.545
bonds (distance) P-C4' energy: -112.771
flat angles C4'-P-C4' energy: -97.161
flat angles P-C4'-P energy: -67.533
tors. eta vs tors. theta energy: 3.306
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: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -546.660575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.660575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.660575 (E_RNA)
where:
Base-Base interactions energy: -203.151
where: short stacking energy: -165.166
Base-Backbone interact. energy: 4.023
local terms energy: -347.532116
where:
bonds (distance) C4'-P energy: -103.865
bonds (distance) P-C4' energy: -110.303
flat angles C4'-P-C4' energy: -89.762
flat angles P-C4'-P energy: -50.809
tors. eta vs tors. theta energy: 7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -519.803260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.803260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.803260 (E_RNA)
where:
Base-Base interactions energy: -182.481
where: short stacking energy: -134.727
Base-Backbone interact. energy: -1.605
local terms energy: -335.717155
where:
bonds (distance) C4'-P energy: -103.609
bonds (distance) P-C4' energy: -117.875
flat angles C4'-P-C4' energy: -101.670
flat angles P-C4'-P energy: -54.202
tors. eta vs tors. theta energy: 41.639
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: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1332.622962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.622962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.622962 (E_RNA)
where:
Base-Base interactions energy: -702.272
where: short stacking energy: -478.168
Base-Backbone interact. energy: -1.577
local terms energy: -628.773403
where:
bonds (distance) C4'-P energy: -120.389
bonds (distance) P-C4' energy: -155.062
flat angles C4'-P-C4' energy: -135.981
flat angles P-C4'-P energy: -93.043
tors. eta vs tors. theta energy: -124.298
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: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1147.916606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.916606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.916606 (E_RNA)
where:
Base-Base interactions energy: -577.969
where: short stacking energy: -440.129
Base-Backbone interact. energy: -1.145
local terms energy: -568.801817
where:
bonds (distance) C4'-P energy: -141.093
bonds (distance) P-C4' energy: -121.172
flat angles C4'-P-C4' energy: -146.651
flat angles P-C4'-P energy: -68.751
tors. eta vs tors. theta energy: -91.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1326.413193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.413193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.413193 (E_RNA)
where:
Base-Base interactions energy: -726.761
where: short stacking energy: -421.828
Base-Backbone interact. energy: -2.148
local terms energy: -597.504288
where:
bonds (distance) C4'-P energy: -140.114
bonds (distance) P-C4' energy: -145.984
flat angles C4'-P-C4' energy: -130.530
flat angles P-C4'-P energy: -70.548
tors. eta vs tors. theta energy: -110.328
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: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1050.216311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.216311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.216311 (E_RNA)
where:
Base-Base interactions energy: -523.795
where: short stacking energy: -346.060
Base-Backbone interact. energy: -1.880
local terms energy: -524.541270
where:
bonds (distance) C4'-P energy: -108.050
bonds (distance) P-C4' energy: -137.568
flat angles C4'-P-C4' energy: -133.857
flat angles P-C4'-P energy: -79.352
tors. eta vs tors. theta energy: -65.715
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: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1155.024638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.024638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.024638 (E_RNA)
where:
Base-Base interactions energy: -647.448
where: short stacking energy: -356.115
Base-Backbone interact. energy: -1.614
local terms energy: -505.962239
where:
bonds (distance) C4'-P energy: -111.880
bonds (distance) P-C4' energy: -132.546
flat angles C4'-P-C4' energy: -127.830
flat angles P-C4'-P energy: -70.227
tors. eta vs tors. theta energy: -63.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -855.863729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.863729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.863729 (E_RNA)
where:
Base-Base interactions energy: -418.055
where: short stacking energy: -264.778
Base-Backbone interact. energy: -1.714
local terms energy: -436.094884
where:
bonds (distance) C4'-P energy: -120.234
bonds (distance) P-C4' energy: -127.273
flat angles C4'-P-C4' energy: -89.024
flat angles P-C4'-P energy: -62.688
tors. eta vs tors. theta energy: -36.877
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: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -738.809546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.809546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.809546 (E_RNA)
where:
Base-Base interactions energy: -353.406
where: short stacking energy: -231.718
Base-Backbone interact. energy: -2.620
local terms energy: -382.783172
where:
bonds (distance) C4'-P energy: -97.230
bonds (distance) P-C4' energy: -123.366
flat angles C4'-P-C4' energy: -107.285
flat angles P-C4'-P energy: -52.932
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -720.662179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.662179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.662179 (E_RNA)
where:
Base-Base interactions energy: -344.883
where: short stacking energy: -172.570
Base-Backbone interact. energy: -3.188
local terms energy: -372.590746
where:
bonds (distance) C4'-P energy: -103.912
bonds (distance) P-C4' energy: -115.172
flat angles C4'-P-C4' energy: -98.586
flat angles P-C4'-P energy: -62.560
tors. eta vs tors. theta energy: 7.639
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: 10
Temperature: 1.300000
Total energy: -554.888727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.888727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.888727 (E_RNA)
where:
Base-Base interactions energy: -220.815
where: short stacking energy: -160.094
Base-Backbone interact. energy: 5.132
local terms energy: -339.205928
where:
bonds (distance) C4'-P energy: -107.554
bonds (distance) P-C4' energy: -115.061
flat angles C4'-P-C4' energy: -78.748
flat angles P-C4'-P energy: -50.925
tors. eta vs tors. theta energy: 13.081
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: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -522.449507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.449507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.449507 (E_RNA)
where:
Base-Base interactions energy: -194.661
where: short stacking energy: -151.113
Base-Backbone interact. energy: 3.736
local terms energy: -331.524033
where:
bonds (distance) C4'-P energy: -98.856
bonds (distance) P-C4' energy: -108.309
flat angles C4'-P-C4' energy: -111.179
flat angles P-C4'-P energy: -41.196
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: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1354.408694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.408694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.408694 (E_RNA)
where:
Base-Base interactions energy: -735.277
where: short stacking energy: -508.184
Base-Backbone interact. energy: -2.543
local terms energy: -616.588992
where:
bonds (distance) C4'-P energy: -142.893
bonds (distance) P-C4' energy: -142.025
flat angles C4'-P-C4' energy: -143.463
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: -115.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1435.759492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.759492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.759492 (E_RNA)
where:
Base-Base interactions energy: -858.819
where: short stacking energy: -498.562
Base-Backbone interact. energy: -0.135
local terms energy: -576.805899
where:
bonds (distance) C4'-P energy: -114.157
bonds (distance) P-C4' energy: -125.372
flat angles C4'-P-C4' energy: -127.338
flat angles P-C4'-P energy: -100.450
tors. eta vs tors. theta energy: -109.489
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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1136.337297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.337297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.337297 (E_RNA)
where:
Base-Base interactions energy: -563.671
where: short stacking energy: -390.686
Base-Backbone interact. energy: -2.431
local terms energy: -570.235879
where:
bonds (distance) C4'-P energy: -138.307
bonds (distance) P-C4' energy: -132.842
flat angles C4'-P-C4' energy: -120.984
flat angles P-C4'-P energy: -85.826
tors. eta vs tors. theta energy: -92.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1225.816123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.816123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.816123 (E_RNA)
where:
Base-Base interactions energy: -713.927
where: short stacking energy: -410.115
Base-Backbone interact. energy: -1.285
local terms energy: -510.604477
where:
bonds (distance) C4'-P energy: -115.504
bonds (distance) P-C4' energy: -113.538
flat angles C4'-P-C4' energy: -140.163
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: -72.072
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: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1003.317867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.317867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.317867 (E_RNA)
where:
Base-Base interactions energy: -474.886
where: short stacking energy: -332.133
Base-Backbone interact. energy: 1.310
local terms energy: -529.742146
where:
bonds (distance) C4'-P energy: -126.403
bonds (distance) P-C4' energy: -119.944
flat angles C4'-P-C4' energy: -121.063
flat angles P-C4'-P energy: -84.090
tors. eta vs tors. theta energy: -78.242
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: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -896.072453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.072453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.072453 (E_RNA)
where:
Base-Base interactions energy: -447.245
where: short stacking energy: -319.039
Base-Backbone interact. energy: 7.229
local terms energy: -456.055902
where:
bonds (distance) C4'-P energy: -103.136
bonds (distance) P-C4' energy: -125.601
flat angles C4'-P-C4' energy: -101.770
flat angles P-C4'-P energy: -73.788
tors. eta vs tors. theta energy: -51.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -764.884430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.884430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.884430 (E_RNA)
where:
Base-Base interactions energy: -354.776
where: short stacking energy: -233.649
Base-Backbone interact. energy: 0.870
local terms energy: -410.978537
where:
bonds (distance) C4'-P energy: -103.599
bonds (distance) P-C4' energy: -117.566
flat angles C4'-P-C4' energy: -94.157
flat angles P-C4'-P energy: -78.242
tors. eta vs tors. theta energy: -17.414
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: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -846.324206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.324206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.324206 (E_RNA)
where:
Base-Base interactions energy: -438.774
where: short stacking energy: -242.245
Base-Backbone interact. energy: -0.867
local terms energy: -406.683889
where:
bonds (distance) C4'-P energy: -103.906
bonds (distance) P-C4' energy: -114.706
flat angles C4'-P-C4' energy: -118.406
flat angles P-C4'-P energy: -45.795
tors. eta vs tors. theta energy: -23.870
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: 11
Temperature: 1.300000
Total energy: -599.605851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.605851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.605851 (E_RNA)
where:
Base-Base interactions energy: -231.662
where: short stacking energy: -169.584
Base-Backbone interact. energy: 2.517
local terms energy: -370.460536
where:
bonds (distance) C4'-P energy: -124.874
bonds (distance) P-C4' energy: -113.660
flat angles C4'-P-C4' energy: -99.960
flat angles P-C4'-P energy: -45.176
tors. eta vs tors. theta energy: 13.210
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: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -498.500017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.500017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.500017 (E_RNA)
where:
Base-Base interactions energy: -165.928
where: short stacking energy: -142.616
Base-Backbone interact. energy: 2.647
local terms energy: -335.219612
where:
bonds (distance) C4'-P energy: -100.663
bonds (distance) P-C4' energy: -112.651
flat angles C4'-P-C4' energy: -94.745
flat angles P-C4'-P energy: -55.251
tors. eta vs tors. theta energy: 28.091
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: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1628.317758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.317758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.317758 (E_RNA)
where:
Base-Base interactions energy: -986.775
where: short stacking energy: -549.091
Base-Backbone interact. energy: -4.217
local terms energy: -637.325521
where:
bonds (distance) C4'-P energy: -131.472
bonds (distance) P-C4' energy: -142.388
flat angles C4'-P-C4' energy: -135.335
flat angles P-C4'-P energy: -86.357
tors. eta vs tors. theta energy: -141.773
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: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1331.651668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.651668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.651668 (E_RNA)
where:
Base-Base interactions energy: -762.498
where: short stacking energy: -466.439
Base-Backbone interact. energy: -3.712
local terms energy: -565.441397
where:
bonds (distance) C4'-P energy: -122.501
bonds (distance) P-C4' energy: -127.835
flat angles C4'-P-C4' energy: -122.900
flat angles P-C4'-P energy: -92.651
tors. eta vs tors. theta energy: -99.554
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: 8
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1416.961218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.961218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.961218 (E_RNA)
where:
Base-Base interactions energy: -859.268
where: short stacking energy: -434.622
Base-Backbone interact. energy: -1.974
local terms energy: -555.719271
where:
bonds (distance) C4'-P energy: -117.142
bonds (distance) P-C4' energy: -127.927
flat angles C4'-P-C4' energy: -128.543
flat angles P-C4'-P energy: -78.547
tors. eta vs tors. theta energy: -103.560
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: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1064.760321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.760321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.760321 (E_RNA)
where:
Base-Base interactions energy: -560.604
where: short stacking energy: -384.153
Base-Backbone interact. energy: 1.693
local terms energy: -505.849693
where:
bonds (distance) C4'-P energy: -108.534
bonds (distance) P-C4' energy: -109.811
flat angles C4'-P-C4' energy: -135.830
flat angles P-C4'-P energy: -66.524
tors. eta vs tors. theta energy: -85.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -971.023411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.023411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.023411 (E_RNA)
where:
Base-Base interactions energy: -499.755
where: short stacking energy: -318.695
Base-Backbone interact. energy: 1.752
local terms energy: -473.019581
where:
bonds (distance) C4'-P energy: -119.176
bonds (distance) P-C4' energy: -124.001
flat angles C4'-P-C4' energy: -110.669
flat angles P-C4'-P energy: -73.776
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: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -854.494451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.494451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.494451 (E_RNA)
where:
Base-Base interactions energy: -379.680
where: short stacking energy: -279.628
Base-Backbone interact. energy: -2.790
local terms energy: -472.024736
where:
bonds (distance) C4'-P energy: -120.270
bonds (distance) P-C4' energy: -133.808
flat angles C4'-P-C4' energy: -108.849
flat angles P-C4'-P energy: -77.683
tors. eta vs tors. theta energy: -31.413
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: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -869.009367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.009367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.009367 (E_RNA)
where:
Base-Base interactions energy: -447.905
where: short stacking energy: -257.190
Base-Backbone interact. energy: 3.402
local terms energy: -424.506811
where:
bonds (distance) C4'-P energy: -103.612
bonds (distance) P-C4' energy: -101.737
flat angles C4'-P-C4' energy: -109.064
flat angles P-C4'-P energy: -67.857
tors. eta vs tors. theta energy: -42.237
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: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -657.840857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.840857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.840857 (E_RNA)
where:
Base-Base interactions energy: -303.225
where: short stacking energy: -200.913
Base-Backbone interact. energy: -2.046
local terms energy: -352.569559
where:
bonds (distance) C4'-P energy: -86.903
bonds (distance) P-C4' energy: -102.806
flat angles C4'-P-C4' energy: -108.414
flat angles P-C4'-P energy: -66.764
tors. eta vs tors. theta energy: 12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -614.866069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.866069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.866069 (E_RNA)
where:
Base-Base interactions energy: -251.347
where: short stacking energy: -178.633
Base-Backbone interact. energy: 3.512
local terms energy: -367.031195
where:
bonds (distance) C4'-P energy: -112.140
bonds (distance) P-C4' energy: -112.062
flat angles C4'-P-C4' energy: -98.714
flat angles P-C4'-P energy: -34.218
tors. eta vs tors. theta energy: -9.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -475.561519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.561519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.561519 (E_RNA)
where:
Base-Base interactions energy: -154.531
where: short stacking energy: -134.868
Base-Backbone interact. energy: 4.310
local terms energy: -325.340691
where:
bonds (distance) C4'-P energy: -112.264
bonds (distance) P-C4' energy: -107.628
flat angles C4'-P-C4' energy: -90.251
flat angles P-C4'-P energy: -47.728
tors. eta vs tors. theta energy: 32.530
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: 13
Temperature: 0.900000
Total energy: -1635.585147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.585147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.585147 (E_RNA)
where:
Base-Base interactions energy: -979.750
where: short stacking energy: -554.596
Base-Backbone interact. energy: -3.064
local terms energy: -652.771284
where:
bonds (distance) C4'-P energy: -138.023
bonds (distance) P-C4' energy: -135.309
flat angles C4'-P-C4' energy: -139.901
flat angles P-C4'-P energy: -86.450
tors. eta vs tors. theta energy: -153.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1558.491055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.491055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.491055 (E_RNA)
where:
Base-Base interactions energy: -976.303
where: short stacking energy: -485.534
Base-Backbone interact. energy: -3.071
local terms energy: -579.117333
where:
bonds (distance) C4'-P energy: -123.547
bonds (distance) P-C4' energy: -126.822
flat angles C4'-P-C4' energy: -124.902
flat angles P-C4'-P energy: -91.812
tors. eta vs tors. theta energy: -112.035
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: 13
Temperature: 1.000000
Total energy: -1263.129249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.129249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.129249 (E_RNA)
where:
Base-Base interactions energy: -670.717
where: short stacking energy: -420.540
Base-Backbone interact. energy: 0.940
local terms energy: -593.351939
where:
bonds (distance) C4'-P energy: -120.344
bonds (distance) P-C4' energy: -137.977
flat angles C4'-P-C4' energy: -138.644
flat angles P-C4'-P energy: -88.213
tors. eta vs tors. theta energy: -108.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1030.395916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.395916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.395916 (E_RNA)
where:
Base-Base interactions energy: -554.881
where: short stacking energy: -389.864
Base-Backbone interact. energy: -3.140
local terms energy: -472.374251
where:
bonds (distance) C4'-P energy: -97.327
bonds (distance) P-C4' energy: -112.084
flat angles C4'-P-C4' energy: -133.465
flat angles P-C4'-P energy: -66.564
tors. eta vs tors. theta energy: -62.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -983.887901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.887901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.887901 (E_RNA)
where:
Base-Base interactions energy: -499.285
where: short stacking energy: -324.419
Base-Backbone interact. energy: -2.629
local terms energy: -481.974616
where:
bonds (distance) C4'-P energy: -126.670
bonds (distance) P-C4' energy: -109.673
flat angles C4'-P-C4' energy: -106.277
flat angles P-C4'-P energy: -75.780
tors. eta vs tors. theta energy: -63.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -949.182315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.182315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.182315 (E_RNA)
where:
Base-Base interactions energy: -502.060
where: short stacking energy: -271.982
Base-Backbone interact. energy: 9.132
local terms energy: -456.254212
where:
bonds (distance) C4'-P energy: -127.184
bonds (distance) P-C4' energy: -123.975
flat angles C4'-P-C4' energy: -116.778
flat angles P-C4'-P energy: -58.554
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: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -756.135611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.135611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.135611 (E_RNA)
where:
Base-Base interactions energy: -347.232
where: short stacking energy: -257.200
Base-Backbone interact. energy: 1.773
local terms energy: -410.676941
where:
bonds (distance) C4'-P energy: -114.596
bonds (distance) P-C4' energy: -117.871
flat angles C4'-P-C4' energy: -95.671
flat angles P-C4'-P energy: -72.050
tors. eta vs tors. theta energy: -10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -804.611947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.611947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.611947 (E_RNA)
where:
Base-Base interactions energy: -411.147
where: short stacking energy: -244.453
Base-Backbone interact. energy: -1.397
local terms energy: -392.067615
where:
bonds (distance) C4'-P energy: -108.282
bonds (distance) P-C4' energy: -116.254
flat angles C4'-P-C4' energy: -101.692
flat angles P-C4'-P energy: -52.300
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -628.622791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.622791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.622791 (E_RNA)
where:
Base-Base interactions energy: -259.732
where: short stacking energy: -160.661
Base-Backbone interact. energy: -0.252
local terms energy: -368.638647
where:
bonds (distance) C4'-P energy: -102.469
bonds (distance) P-C4' energy: -131.341
flat angles C4'-P-C4' energy: -93.628
flat angles P-C4'-P energy: -54.633
tors. eta vs tors. theta energy: 13.432
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: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -562.164030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.164030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.164030 (E_RNA)
where:
Base-Base interactions energy: -248.038
where: short stacking energy: -158.492
Base-Backbone interact. energy: 5.515
local terms energy: -319.641787
where:
bonds (distance) C4'-P energy: -107.064
bonds (distance) P-C4' energy: -107.591
flat angles C4'-P-C4' energy: -85.766
flat angles P-C4'-P energy: -53.450
tors. eta vs tors. theta energy: 34.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1615.586978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.586978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.586978 (E_RNA)
where:
Base-Base interactions energy: -976.869
where: short stacking energy: -552.829
Base-Backbone interact. energy: -1.285
local terms energy: -637.433169
where:
bonds (distance) C4'-P energy: -133.969
bonds (distance) P-C4' energy: -137.418
flat angles C4'-P-C4' energy: -147.607
flat angles P-C4'-P energy: -87.830
tors. eta vs tors. theta energy: -130.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1608.059259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.059259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.059259 (E_RNA)
where:
Base-Base interactions energy: -986.487
where: short stacking energy: -521.064
Base-Backbone interact. energy: -1.078
local terms energy: -620.494440
where:
bonds (distance) C4'-P energy: -126.003
bonds (distance) P-C4' energy: -124.782
flat angles C4'-P-C4' energy: -144.946
flat angles P-C4'-P energy: -82.791
tors. eta vs tors. theta energy: -141.973
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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1193.164024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.164024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.164024 (E_RNA)
where:
Base-Base interactions energy: -617.581
where: short stacking energy: -391.526
Base-Backbone interact. energy: 1.203
local terms energy: -576.786683
where:
bonds (distance) C4'-P energy: -129.947
bonds (distance) P-C4' energy: -129.556
flat angles C4'-P-C4' energy: -135.499
flat angles P-C4'-P energy: -94.530
tors. eta vs tors. theta energy: -87.256
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: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1087.718472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.718472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.718472 (E_RNA)
where:
Base-Base interactions energy: -563.900
where: short stacking energy: -332.071
Base-Backbone interact. energy: -1.685
local terms energy: -522.133269
where:
bonds (distance) C4'-P energy: -130.788
bonds (distance) P-C4' energy: -117.318
flat angles C4'-P-C4' energy: -127.998
flat angles P-C4'-P energy: -85.507
tors. eta vs tors. theta energy: -60.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1027.561858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.561858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.561858 (E_RNA)
where:
Base-Base interactions energy: -558.565
where: short stacking energy: -340.171
Base-Backbone interact. energy: 2.497
local terms energy: -471.494290
where:
bonds (distance) C4'-P energy: -103.441
bonds (distance) P-C4' energy: -131.389
flat angles C4'-P-C4' energy: -105.855
flat angles P-C4'-P energy: -82.614
tors. eta vs tors. theta energy: -48.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -933.312764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.312764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.312764 (E_RNA)
where:
Base-Base interactions energy: -462.358
where: short stacking energy: -304.882
Base-Backbone interact. energy: -0.830
local terms energy: -470.124328
where:
bonds (distance) C4'-P energy: -123.795
bonds (distance) P-C4' energy: -125.515
flat angles C4'-P-C4' energy: -99.536
flat angles P-C4'-P energy: -66.266
tors. eta vs tors. theta energy: -55.013
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: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -811.813600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.813600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.813600 (E_RNA)
where:
Base-Base interactions energy: -420.881
where: short stacking energy: -260.820
Base-Backbone interact. energy: 0.173
local terms energy: -391.105246
where:
bonds (distance) C4'-P energy: -118.833
bonds (distance) P-C4' energy: -108.353
flat angles C4'-P-C4' energy: -88.009
flat angles P-C4'-P energy: -50.825
tors. eta vs tors. theta energy: -25.086
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: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -691.147767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.147767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.147767 (E_RNA)
where:
Base-Base interactions energy: -287.943
where: short stacking energy: -207.164
Base-Backbone interact. energy: -0.615
local terms energy: -402.590139
where:
bonds (distance) C4'-P energy: -111.172
bonds (distance) P-C4' energy: -127.618
flat angles C4'-P-C4' energy: -85.119
flat angles P-C4'-P energy: -76.510
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: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -601.350883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.350883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.350883 (E_RNA)
where:
Base-Base interactions energy: -212.831
where: short stacking energy: -169.486
Base-Backbone interact. energy: -0.132
local terms energy: -388.387939
where:
bonds (distance) C4'-P energy: -115.900
bonds (distance) P-C4' energy: -111.745
flat angles C4'-P-C4' energy: -101.374
flat angles P-C4'-P energy: -49.881
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -593.586747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.586747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.586747 (E_RNA)
where:
Base-Base interactions energy: -240.699
where: short stacking energy: -179.843
Base-Backbone interact. energy: 4.061
local terms energy: -356.949385
where:
bonds (distance) C4'-P energy: -101.706
bonds (distance) P-C4' energy: -113.311
flat angles C4'-P-C4' energy: -92.035
flat angles P-C4'-P energy: -55.048
tors. eta vs tors. theta energy: 5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1615.007845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.007845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.007845 (E_RNA)
where:
Base-Base interactions energy: -966.079
where: short stacking energy: -562.211
Base-Backbone interact. energy: 0.800
local terms energy: -649.729004
where:
bonds (distance) C4'-P energy: -116.464
bonds (distance) P-C4' energy: -138.717
flat angles C4'-P-C4' energy: -141.091
flat angles P-C4'-P energy: -89.658
tors. eta vs tors. theta energy: -163.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1675.986239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.986239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.986239 (E_RNA)
where:
Base-Base interactions energy: -1040.959
where: short stacking energy: -515.114
Base-Backbone interact. energy: -3.238
local terms energy: -631.788986
where:
bonds (distance) C4'-P energy: -126.468
bonds (distance) P-C4' energy: -135.909
flat angles C4'-P-C4' energy: -146.876
flat angles P-C4'-P energy: -86.469
tors. eta vs tors. theta energy: -136.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1340.263737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.263737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.263737 (E_RNA)
where:
Base-Base interactions energy: -795.853
where: short stacking energy: -391.673
Base-Backbone interact. energy: -1.964
local terms energy: -542.447056
where:
bonds (distance) C4'-P energy: -131.567
bonds (distance) P-C4' energy: -139.576
flat angles C4'-P-C4' energy: -120.801
flat angles P-C4'-P energy: -72.114
tors. eta vs tors. theta energy: -78.389
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: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1210.315882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.315882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.315882 (E_RNA)
where:
Base-Base interactions energy: -705.249
where: short stacking energy: -355.149
Base-Backbone interact. energy: -3.089
local terms energy: -501.977387
where:
bonds (distance) C4'-P energy: -119.938
bonds (distance) P-C4' energy: -121.750
flat angles C4'-P-C4' energy: -123.058
flat angles P-C4'-P energy: -72.563
tors. eta vs tors. theta energy: -64.669
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: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1019.418209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.418209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.418209 (E_RNA)
where:
Base-Base interactions energy: -506.943
where: short stacking energy: -302.045
Base-Backbone interact. energy: 2.340
local terms energy: -514.815148
where:
bonds (distance) C4'-P energy: -122.396
bonds (distance) P-C4' energy: -142.417
flat angles C4'-P-C4' energy: -127.210
flat angles P-C4'-P energy: -66.120
tors. eta vs tors. theta energy: -56.673
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: 15
Temperature: 1.150000
Total energy: -872.974093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.974093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.974093 (E_RNA)
where:
Base-Base interactions energy: -390.183
where: short stacking energy: -269.151
Base-Backbone interact. energy: -0.595
local terms energy: -482.196523
where:
bonds (distance) C4'-P energy: -116.452
bonds (distance) P-C4' energy: -132.109
flat angles C4'-P-C4' energy: -124.596
flat angles P-C4'-P energy: -66.250
tors. eta vs tors. theta energy: -42.790
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: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -824.371623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.371623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.371623 (E_RNA)
where:
Base-Base interactions energy: -413.907
where: short stacking energy: -270.333
Base-Backbone interact. energy: 1.070
local terms energy: -411.535090
where:
bonds (distance) C4'-P energy: -108.631
bonds (distance) P-C4' energy: -121.351
flat angles C4'-P-C4' energy: -106.773
flat angles P-C4'-P energy: -56.285
tors. eta vs tors. theta energy: -18.496
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: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -687.780643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.780643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.780643 (E_RNA)
where:
Base-Base interactions energy: -287.462
where: short stacking energy: -211.800
Base-Backbone interact. energy: 0.010
local terms energy: -400.328034
where:
bonds (distance) C4'-P energy: -110.536
bonds (distance) P-C4' energy: -138.428
flat angles C4'-P-C4' energy: -100.844
flat angles P-C4'-P energy: -45.999
tors. eta vs tors. theta energy: -4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -650.077638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.077638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.077638 (E_RNA)
where:
Base-Base interactions energy: -288.893
where: short stacking energy: -183.377
Base-Backbone interact. energy: -0.570
local terms energy: -360.614430
where:
bonds (distance) C4'-P energy: -98.547
bonds (distance) P-C4' energy: -124.562
flat angles C4'-P-C4' energy: -96.313
flat angles P-C4'-P energy: -59.989
tors. eta vs tors. theta energy: 18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -540.735906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.735906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.735906 (E_RNA)
where:
Base-Base interactions energy: -213.372
where: short stacking energy: -145.145
Base-Backbone interact. energy: 0.036
local terms energy: -327.399795
where:
bonds (distance) C4'-P energy: -114.925
bonds (distance) P-C4' energy: -92.758
flat angles C4'-P-C4' energy: -92.195
flat angles P-C4'-P energy: -45.339
tors. eta vs tors. theta energy: 17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1767.656784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.656784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.656784 (E_RNA)
where:
Base-Base interactions energy: -1157.386
where: short stacking energy: -559.167
Base-Backbone interact. energy: -0.768
local terms energy: -609.502488
where:
bonds (distance) C4'-P energy: -132.320
bonds (distance) P-C4' energy: -133.895
flat angles C4'-P-C4' energy: -137.674
flat angles P-C4'-P energy: -77.090
tors. eta vs tors. theta energy: -128.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1565.740823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.740823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.740823 (E_RNA)
where:
Base-Base interactions energy: -946.621
where: short stacking energy: -508.796
Base-Backbone interact. energy: -3.459
local terms energy: -615.659899
where:
bonds (distance) C4'-P energy: -128.863
bonds (distance) P-C4' energy: -135.201
flat angles C4'-P-C4' energy: -138.971
flat angles P-C4'-P energy: -74.625
tors. eta vs tors. theta energy: -138.000
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: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1371.631473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.631473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.631473 (E_RNA)
where:
Base-Base interactions energy: -836.754
where: short stacking energy: -422.470
Base-Backbone interact. energy: 4.170
local terms energy: -539.047718
where:
bonds (distance) C4'-P energy: -129.118
bonds (distance) P-C4' energy: -124.098
flat angles C4'-P-C4' energy: -138.093
flat angles P-C4'-P energy: -76.376
tors. eta vs tors. theta energy: -71.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1298.022058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.022058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.022058 (E_RNA)
where:
Base-Base interactions energy: -775.716
where: short stacking energy: -397.563
Base-Backbone interact. energy: -0.197
local terms energy: -522.109000
where:
bonds (distance) C4'-P energy: -122.154
bonds (distance) P-C4' energy: -116.037
flat angles C4'-P-C4' energy: -116.589
flat angles P-C4'-P energy: -86.247
tors. eta vs tors. theta energy: -81.082
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: 5, replica: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1006.143068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.143068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.143068 (E_RNA)
where:
Base-Base interactions energy: -530.121
where: short stacking energy: -312.424
Base-Backbone interact. energy: -1.836
local terms energy: -474.186661
where:
bonds (distance) C4'-P energy: -128.217
bonds (distance) P-C4' energy: -131.482
flat angles C4'-P-C4' energy: -109.609
flat angles P-C4'-P energy: -74.063
tors. eta vs tors. theta energy: -30.816
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: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -927.279543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.279543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.279543 (E_RNA)
where:
Base-Base interactions energy: -455.126
where: short stacking energy: -291.612
Base-Backbone interact. energy: -1.169
local terms energy: -470.983733
where:
bonds (distance) C4'-P energy: -114.534
bonds (distance) P-C4' energy: -129.438
flat angles C4'-P-C4' energy: -123.121
flat angles P-C4'-P energy: -62.144
tors. eta vs tors. theta energy: -41.746
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: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -888.612904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.612904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.612904 (E_RNA)
where:
Base-Base interactions energy: -458.265
where: short stacking energy: -263.270
Base-Backbone interact. energy: -4.087
local terms energy: -426.261219
where:
bonds (distance) C4'-P energy: -109.631
bonds (distance) P-C4' energy: -123.452
flat angles C4'-P-C4' energy: -96.770
flat angles P-C4'-P energy: -69.848
tors. eta vs tors. theta energy: -26.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -665.830206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.830206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.830206 (E_RNA)
where:
Base-Base interactions energy: -256.420
where: short stacking energy: -219.219
Base-Backbone interact. energy: 0.356
local terms energy: -409.765604
where:
bonds (distance) C4'-P energy: -111.031
bonds (distance) P-C4' energy: -120.693
flat angles C4'-P-C4' energy: -105.845
flat angles P-C4'-P energy: -77.753
tors. eta vs tors. theta energy: 5.556
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: 16
Temperature: 1.300000
Total energy: -689.050122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.050122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.050122 (E_RNA)
where:
Base-Base interactions energy: -349.494
where: short stacking energy: -195.882
Base-Backbone interact. energy: -2.724
local terms energy: -336.831656
where:
bonds (distance) C4'-P energy: -94.947
bonds (distance) P-C4' energy: -99.008
flat angles C4'-P-C4' energy: -84.492
flat angles P-C4'-P energy: -50.820
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -582.897631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.897631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.897631 (E_RNA)
where:
Base-Base interactions energy: -222.366
where: short stacking energy: -167.981
Base-Backbone interact. energy: 2.561
local terms energy: -363.092606
where:
bonds (distance) C4'-P energy: -99.523
bonds (distance) P-C4' energy: -106.018
flat angles C4'-P-C4' energy: -105.038
flat angles P-C4'-P energy: -62.691
tors. eta vs tors. theta energy: 10.179
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: 1, replica: 8
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1801.448074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.448074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.448074 (E_RNA)
where:
Base-Base interactions energy: -1177.123
where: short stacking energy: -568.198
Base-Backbone interact. energy: 6.609
local terms energy: -630.933481
where:
bonds (distance) C4'-P energy: -130.512
bonds (distance) P-C4' energy: -124.407
flat angles C4'-P-C4' energy: -153.960
flat angles P-C4'-P energy: -80.343
tors. eta vs tors. theta energy: -141.711
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: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1622.740582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.740582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.740582 (E_RNA)
where:
Base-Base interactions energy: -1040.681
where: short stacking energy: -512.810
Base-Backbone interact. energy: -2.309
local terms energy: -579.750595
where:
bonds (distance) C4'-P energy: -133.336
bonds (distance) P-C4' energy: -123.809
flat angles C4'-P-C4' energy: -127.792
flat angles P-C4'-P energy: -76.630
tors. eta vs tors. theta energy: -118.184
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1423.999009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.999009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.999009 (E_RNA)
where:
Base-Base interactions energy: -849.521
where: short stacking energy: -450.731
Base-Backbone interact. energy: -2.405
local terms energy: -572.072542
where:
bonds (distance) C4'-P energy: -111.084
bonds (distance) P-C4' energy: -124.689
flat angles C4'-P-C4' energy: -135.910
flat angles P-C4'-P energy: -83.243
tors. eta vs tors. theta energy: -117.146
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: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1322.291483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.291483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.291483 (E_RNA)
where:
Base-Base interactions energy: -793.904
where: short stacking energy: -408.581
Base-Backbone interact. energy: 0.052
local terms energy: -528.439629
where:
bonds (distance) C4'-P energy: -112.164
bonds (distance) P-C4' energy: -111.888
flat angles C4'-P-C4' energy: -129.747
flat angles P-C4'-P energy: -84.884
tors. eta vs tors. theta energy: -89.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1011.322813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.322813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.322813 (E_RNA)
where:
Base-Base interactions energy: -496.355
where: short stacking energy: -319.115
Base-Backbone interact. energy: -3.769
local terms energy: -511.198835
where:
bonds (distance) C4'-P energy: -117.685
bonds (distance) P-C4' energy: -130.929
flat angles C4'-P-C4' energy: -133.573
flat angles P-C4'-P energy: -80.170
tors. eta vs tors. theta energy: -48.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -950.876600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.876600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.876600 (E_RNA)
where:
Base-Base interactions energy: -500.521
where: short stacking energy: -293.200
Base-Backbone interact. energy: -2.123
local terms energy: -448.232323
where:
bonds (distance) C4'-P energy: -105.096
bonds (distance) P-C4' energy: -133.579
flat angles C4'-P-C4' energy: -107.180
flat angles P-C4'-P energy: -53.621
tors. eta vs tors. theta energy: -48.756
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: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -877.822140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.822140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.822140 (E_RNA)
where:
Base-Base interactions energy: -458.383
where: short stacking energy: -292.031
Base-Backbone interact. energy: -0.723
local terms energy: -418.715947
where:
bonds (distance) C4'-P energy: -108.091
bonds (distance) P-C4' energy: -117.961
flat angles C4'-P-C4' energy: -105.433
flat angles P-C4'-P energy: -55.626
tors. eta vs tors. theta energy: -31.604
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: 5
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -870.494120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.494120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.494120 (E_RNA)
where:
Base-Base interactions energy: -439.527
where: short stacking energy: -251.959
Base-Backbone interact. energy: 2.261
local terms energy: -433.228229
where:
bonds (distance) C4'-P energy: -125.157
bonds (distance) P-C4' energy: -108.195
flat angles C4'-P-C4' energy: -98.346
flat angles P-C4'-P energy: -71.063
tors. eta vs tors. theta energy: -30.467
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: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -572.872712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.872712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.872712 (E_RNA)
where:
Base-Base interactions energy: -205.644
where: short stacking energy: -146.580
Base-Backbone interact. energy: 0.460
local terms energy: -367.689268
where:
bonds (distance) C4'-P energy: -105.166
bonds (distance) P-C4' energy: -120.054
flat angles C4'-P-C4' energy: -106.762
flat angles P-C4'-P energy: -48.675
tors. eta vs tors. theta energy: 12.967
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: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -582.607400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.607400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.607400 (E_RNA)
where:
Base-Base interactions energy: -258.793
where: short stacking energy: -175.133
Base-Backbone interact. energy: 3.629
local terms energy: -327.443373
where:
bonds (distance) C4'-P energy: -100.405
bonds (distance) P-C4' energy: -99.336
flat angles C4'-P-C4' energy: -103.865
flat angles P-C4'-P energy: -37.457
tors. eta vs tors. theta energy: 13.620
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: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1811.003378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.003378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.003378 (E_RNA)
where:
Base-Base interactions energy: -1173.864
where: short stacking energy: -549.369
Base-Backbone interact. energy: -3.737
local terms energy: -633.402569
where:
bonds (distance) C4'-P energy: -132.546
bonds (distance) P-C4' energy: -128.912
flat angles C4'-P-C4' energy: -144.706
flat angles P-C4'-P energy: -82.877
tors. eta vs tors. theta energy: -144.362
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: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1647.149859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.149859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.149859 (E_RNA)
where:
Base-Base interactions energy: -1032.213
where: short stacking energy: -509.633
Base-Backbone interact. energy: 2.978
local terms energy: -617.915052
where:
bonds (distance) C4'-P energy: -131.594
bonds (distance) P-C4' energy: -129.708
flat angles C4'-P-C4' energy: -132.947
flat angles P-C4'-P energy: -90.087
tors. eta vs tors. theta energy: -133.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1450.319185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.319185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.319185 (E_RNA)
where:
Base-Base interactions energy: -874.128
where: short stacking energy: -417.167
Base-Backbone interact. energy: -5.157
local terms energy: -571.034315
where:
bonds (distance) C4'-P energy: -119.769
bonds (distance) P-C4' energy: -138.899
flat angles C4'-P-C4' energy: -127.814
flat angles P-C4'-P energy: -91.139
tors. eta vs tors. theta energy: -93.414
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: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1345.542532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.542532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.542532 (E_RNA)
where:
Base-Base interactions energy: -826.203
where: short stacking energy: -408.009
Base-Backbone interact. energy: 1.185
local terms energy: -520.524395
where:
bonds (distance) C4'-P energy: -112.602
bonds (distance) P-C4' energy: -108.027
flat angles C4'-P-C4' energy: -125.158
flat angles P-C4'-P energy: -79.781
tors. eta vs tors. theta energy: -94.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1068.736841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.736841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.736841 (E_RNA)
where:
Base-Base interactions energy: -585.796
where: short stacking energy: -363.656
Base-Backbone interact. energy: -1.615
local terms energy: -481.325641
where:
bonds (distance) C4'-P energy: -104.765
bonds (distance) P-C4' energy: -122.087
flat angles C4'-P-C4' energy: -121.047
flat angles P-C4'-P energy: -62.900
tors. eta vs tors. theta energy: -70.527
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: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -924.785858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.785858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.785858 (E_RNA)
where:
Base-Base interactions energy: -486.556
where: short stacking energy: -297.715
Base-Backbone interact. energy: 0.053
local terms energy: -438.282910
where:
bonds (distance) C4'-P energy: -111.552
bonds (distance) P-C4' energy: -120.240
flat angles C4'-P-C4' energy: -112.397
flat angles P-C4'-P energy: -52.304
tors. eta vs tors. theta energy: -41.790
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: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -928.260982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.260982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.260982 (E_RNA)
where:
Base-Base interactions energy: -488.705
where: short stacking energy: -276.797
Base-Backbone interact. energy: -1.383
local terms energy: -438.172984
where:
bonds (distance) C4'-P energy: -120.541
bonds (distance) P-C4' energy: -114.386
flat angles C4'-P-C4' energy: -97.883
flat angles P-C4'-P energy: -77.142
tors. eta vs tors. theta energy: -28.220
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: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -778.571350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.571350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.571350 (E_RNA)
where:
Base-Base interactions energy: -349.898
where: short stacking energy: -221.129
Base-Backbone interact. energy: 2.669
local terms energy: -431.342876
where:
bonds (distance) C4'-P energy: -120.025
bonds (distance) P-C4' energy: -116.146
flat angles C4'-P-C4' energy: -100.789
flat angles P-C4'-P energy: -77.169
tors. eta vs tors. theta energy: -17.214
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: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -724.695467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.695467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.695467 (E_RNA)
where:
Base-Base interactions energy: -355.163
where: short stacking energy: -183.883
Base-Backbone interact. energy: 2.124
local terms energy: -371.656344
where:
bonds (distance) C4'-P energy: -111.313
bonds (distance) P-C4' energy: -108.768
flat angles C4'-P-C4' energy: -98.855
flat angles P-C4'-P energy: -69.178
tors. eta vs tors. theta energy: 16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -586.580936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.580936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.580936 (E_RNA)
where:
Base-Base interactions energy: -233.318
where: short stacking energy: -181.155
Base-Backbone interact. energy: -0.653
local terms energy: -352.609751
where:
bonds (distance) C4'-P energy: -110.475
bonds (distance) P-C4' energy: -97.156
flat angles C4'-P-C4' energy: -90.217
flat angles P-C4'-P energy: -68.708
tors. eta vs tors. theta energy: 13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1844.068973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.068973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.068973 (E_RNA)
where:
Base-Base interactions energy: -1197.495
where: short stacking energy: -548.641
Base-Backbone interact. energy: -5.808
local terms energy: -640.766185
where:
bonds (distance) C4'-P energy: -128.161
bonds (distance) P-C4' energy: -133.654
flat angles C4'-P-C4' energy: -142.961
flat angles P-C4'-P energy: -98.294
tors. eta vs tors. theta energy: -137.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1665.541249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.541249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.541249 (E_RNA)
where:
Base-Base interactions energy: -1034.833
where: short stacking energy: -540.060
Base-Backbone interact. energy: 3.148
local terms energy: -633.855774
where:
bonds (distance) C4'-P energy: -122.314
bonds (distance) P-C4' energy: -129.980
flat angles C4'-P-C4' energy: -144.509
flat angles P-C4'-P energy: -91.233
tors. eta vs tors. theta energy: -145.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1457.309626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.309626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.309626 (E_RNA)
where:
Base-Base interactions energy: -851.474
where: short stacking energy: -436.429
Base-Backbone interact. energy: -0.541
local terms energy: -605.294448
where:
bonds (distance) C4'-P energy: -135.675
bonds (distance) P-C4' energy: -135.791
flat angles C4'-P-C4' energy: -137.470
flat angles P-C4'-P energy: -92.265
tors. eta vs tors. theta energy: -104.093
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: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1342.149469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.149469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.149469 (E_RNA)
where:
Base-Base interactions energy: -813.184
where: short stacking energy: -411.364
Base-Backbone interact. energy: -1.185
local terms energy: -527.781179
where:
bonds (distance) C4'-P energy: -109.129
bonds (distance) P-C4' energy: -118.857
flat angles C4'-P-C4' energy: -121.162
flat angles P-C4'-P energy: -92.982
tors. eta vs tors. theta energy: -85.652
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: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1098.179622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.179622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.179622 (E_RNA)
where:
Base-Base interactions energy: -583.476
where: short stacking energy: -372.248
Base-Backbone interact. energy: -0.383
local terms energy: -514.320820
where:
bonds (distance) C4'-P energy: -116.412
bonds (distance) P-C4' energy: -125.216
flat angles C4'-P-C4' energy: -126.858
flat angles P-C4'-P energy: -67.646
tors. eta vs tors. theta energy: -78.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1054.171032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.171032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.171032 (E_RNA)
where:
Base-Base interactions energy: -583.386
where: short stacking energy: -316.755
Base-Backbone interact. energy: -1.873
local terms energy: -468.912129
where:
bonds (distance) C4'-P energy: -125.110
bonds (distance) P-C4' energy: -122.170
flat angles C4'-P-C4' energy: -107.588
flat angles P-C4'-P energy: -75.095
tors. eta vs tors. theta energy: -38.949
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: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -915.540522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.540522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.540522 (E_RNA)
where:
Base-Base interactions energy: -456.581
where: short stacking energy: -273.455
Base-Backbone interact. energy: 7.015
local terms energy: -465.974436
where:
bonds (distance) C4'-P energy: -126.577
bonds (distance) P-C4' energy: -125.061
flat angles C4'-P-C4' energy: -111.606
flat angles P-C4'-P energy: -61.404
tors. eta vs tors. theta energy: -41.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -722.360015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.360015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.360015 (E_RNA)
where:
Base-Base interactions energy: -314.016
where: short stacking energy: -230.290
Base-Backbone interact. energy: 3.149
local terms energy: -411.493279
where:
bonds (distance) C4'-P energy: -114.432
bonds (distance) P-C4' energy: -120.258
flat angles C4'-P-C4' energy: -101.705
flat angles P-C4'-P energy: -63.478
tors. eta vs tors. theta energy: -11.621
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: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -665.486908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.486908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.486908 (E_RNA)
where:
Base-Base interactions energy: -286.922
where: short stacking energy: -203.511
Base-Backbone interact. energy: -0.306
local terms energy: -378.258762
where:
bonds (distance) C4'-P energy: -97.817
bonds (distance) P-C4' energy: -116.895
flat angles C4'-P-C4' energy: -99.618
flat angles P-C4'-P energy: -60.155
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -580.239951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.239951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.239951 (E_RNA)
where:
Base-Base interactions energy: -241.943
where: short stacking energy: -145.463
Base-Backbone interact. energy: 5.811
local terms energy: -344.107565
where:
bonds (distance) C4'-P energy: -113.897
bonds (distance) P-C4' energy: -106.005
flat angles C4'-P-C4' energy: -79.228
flat angles P-C4'-P energy: -68.636
tors. eta vs tors. theta energy: 23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1863.091943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.091943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.091943 (E_RNA)
where:
Base-Base interactions energy: -1190.686
where: short stacking energy: -572.217
Base-Backbone interact. energy: -2.395
local terms energy: -670.010095
where:
bonds (distance) C4'-P energy: -127.255
bonds (distance) P-C4' energy: -146.825
flat angles C4'-P-C4' energy: -142.964
flat angles P-C4'-P energy: -101.537
tors. eta vs tors. theta energy: -151.430
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: 20
Temperature: 0.950000
Total energy: -1730.785294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.785294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.785294 (E_RNA)
where:
Base-Base interactions energy: -1080.794
where: short stacking energy: -554.486
Base-Backbone interact. energy: -1.448
local terms energy: -648.543030
where:
bonds (distance) C4'-P energy: -130.346
bonds (distance) P-C4' energy: -133.578
flat angles C4'-P-C4' energy: -142.786
flat angles P-C4'-P energy: -95.764
tors. eta vs tors. theta energy: -146.070
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: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1534.806971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.806971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.806971 (E_RNA)
where:
Base-Base interactions energy: -941.859
where: short stacking energy: -476.382
Base-Backbone interact. energy: -2.707
local terms energy: -590.241477
where:
bonds (distance) C4'-P energy: -131.278
bonds (distance) P-C4' energy: -124.732
flat angles C4'-P-C4' energy: -125.428
flat angles P-C4'-P energy: -96.356
tors. eta vs tors. theta energy: -112.448
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: 20
Temperature: 1.050000
Total energy: -1387.189359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.189359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.189359 (E_RNA)
where:
Base-Base interactions energy: -849.456
where: short stacking energy: -434.840
Base-Backbone interact. energy: -1.249
local terms energy: -536.484395
where:
bonds (distance) C4'-P energy: -129.017
bonds (distance) P-C4' energy: -125.034
flat angles C4'-P-C4' energy: -120.267
flat angles P-C4'-P energy: -64.650
tors. eta vs tors. theta energy: -97.516
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: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1134.409444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.409444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.409444 (E_RNA)
where:
Base-Base interactions energy: -629.779
where: short stacking energy: -353.142
Base-Backbone interact. energy: -3.969
local terms energy: -500.660908
where:
bonds (distance) C4'-P energy: -96.480
bonds (distance) P-C4' energy: -116.916
flat angles C4'-P-C4' energy: -129.558
flat angles P-C4'-P energy: -67.581
tors. eta vs tors. theta energy: -90.127
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: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1074.341990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.341990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.341990 (E_RNA)
where:
Base-Base interactions energy: -607.088
where: short stacking energy: -319.098
Base-Backbone interact. energy: -3.539
local terms energy: -463.715705
where:
bonds (distance) C4'-P energy: -112.424
bonds (distance) P-C4' energy: -110.257
flat angles C4'-P-C4' energy: -118.028
flat angles P-C4'-P energy: -70.955
tors. eta vs tors. theta energy: -52.051
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: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -933.003373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.003373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.003373 (E_RNA)
where:
Base-Base interactions energy: -493.740
where: short stacking energy: -277.349
Base-Backbone interact. energy: 1.170
local terms energy: -440.433364
where:
bonds (distance) C4'-P energy: -106.520
bonds (distance) P-C4' energy: -117.337
flat angles C4'-P-C4' energy: -117.188
flat angles P-C4'-P energy: -52.889
tors. eta vs tors. theta energy: -46.499
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: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -718.502781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.502781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.502781 (E_RNA)
where:
Base-Base interactions energy: -324.457
where: short stacking energy: -209.276
Base-Backbone interact. energy: -0.661
local terms energy: -393.384127
where:
bonds (distance) C4'-P energy: -98.359
bonds (distance) P-C4' energy: -113.063
flat angles C4'-P-C4' energy: -106.388
flat angles P-C4'-P energy: -63.363
tors. eta vs tors. theta energy: -12.211
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: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -800.649567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.649567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.649567 (E_RNA)
where:
Base-Base interactions energy: -388.194
where: short stacking energy: -222.654
Base-Backbone interact. energy: 5.297
local terms energy: -417.752012
where:
bonds (distance) C4'-P energy: -110.361
bonds (distance) P-C4' energy: -123.447
flat angles C4'-P-C4' energy: -93.220
flat angles P-C4'-P energy: -70.081
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -513.324214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.324214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.324214 (E_RNA)
where:
Base-Base interactions energy: -173.474
where: short stacking energy: -145.151
Base-Backbone interact. energy: -1.062
local terms energy: -338.787923
where:
bonds (distance) C4'-P energy: -114.245
bonds (distance) P-C4' energy: -118.999
flat angles C4'-P-C4' energy: -73.539
flat angles P-C4'-P energy: -53.883
tors. eta vs tors. theta energy: 21.878
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: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1877.608807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.608807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.608807 (E_RNA)
where:
Base-Base interactions energy: -1192.732
where: short stacking energy: -586.913
Base-Backbone interact. energy: -1.579
local terms energy: -683.296852
where:
bonds (distance) C4'-P energy: -123.799
bonds (distance) P-C4' energy: -141.419
flat angles C4'-P-C4' energy: -153.416
flat angles P-C4'-P energy: -100.022
tors. eta vs tors. theta energy: -164.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1725.138911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.138911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.138911 (E_RNA)
where:
Base-Base interactions energy: -1075.929
where: short stacking energy: -518.043
Base-Backbone interact. energy: -1.834
local terms energy: -647.376501
where:
bonds (distance) C4'-P energy: -122.912
bonds (distance) P-C4' energy: -132.988
flat angles C4'-P-C4' energy: -145.155
flat angles P-C4'-P energy: -93.994
tors. eta vs tors. theta energy: -152.328
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: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1493.930283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.930283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.930283 (E_RNA)
where:
Base-Base interactions energy: -938.325
where: short stacking energy: -470.879
Base-Backbone interact. energy: -3.408
local terms energy: -552.197591
where:
bonds (distance) C4'-P energy: -107.194
bonds (distance) P-C4' energy: -111.750
flat angles C4'-P-C4' energy: -134.541
flat angles P-C4'-P energy: -81.875
tors. eta vs tors. theta energy: -116.838
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: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1371.212270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.212270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.212270 (E_RNA)
where:
Base-Base interactions energy: -794.348
where: short stacking energy: -408.697
Base-Backbone interact. energy: -0.760
local terms energy: -576.104461
where:
bonds (distance) C4'-P energy: -124.321
bonds (distance) P-C4' energy: -135.856
flat angles C4'-P-C4' energy: -131.662
flat angles P-C4'-P energy: -91.546
tors. eta vs tors. theta energy: -92.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1129.307477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.307477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.307477 (E_RNA)
where:
Base-Base interactions energy: -654.809
where: short stacking energy: -385.293
Base-Backbone interact. energy: 4.988
local terms energy: -479.486393
where:
bonds (distance) C4'-P energy: -102.547
bonds (distance) P-C4' energy: -115.117
flat angles C4'-P-C4' energy: -122.636
flat angles P-C4'-P energy: -66.591
tors. eta vs tors. theta energy: -72.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1118.452347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.452347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.452347 (E_RNA)
where:
Base-Base interactions energy: -621.328
where: short stacking energy: -329.636
Base-Backbone interact. energy: -1.818
local terms energy: -495.307172
where:
bonds (distance) C4'-P energy: -109.969
bonds (distance) P-C4' energy: -131.564
flat angles C4'-P-C4' energy: -128.553
flat angles P-C4'-P energy: -71.458
tors. eta vs tors. theta energy: -53.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -921.898445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.898445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.898445 (E_RNA)
where:
Base-Base interactions energy: -474.102
where: short stacking energy: -282.473
Base-Backbone interact. energy: 4.297
local terms energy: -452.093466
where:
bonds (distance) C4'-P energy: -114.871
bonds (distance) P-C4' energy: -112.574
flat angles C4'-P-C4' energy: -107.651
flat angles P-C4'-P energy: -71.753
tors. eta vs tors. theta energy: -45.244
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: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -823.189643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.189643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.189643 (E_RNA)
where:
Base-Base interactions energy: -423.434
where: short stacking energy: -253.490
Base-Backbone interact. energy: -1.059
local terms energy: -398.696344
where:
bonds (distance) C4'-P energy: -107.430
bonds (distance) P-C4' energy: -103.027
flat angles C4'-P-C4' energy: -105.187
flat angles P-C4'-P energy: -59.456
tors. eta vs tors. theta energy: -23.596
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: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -667.098307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.098307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.098307 (E_RNA)
where:
Base-Base interactions energy: -304.698
where: short stacking energy: -200.088
Base-Backbone interact. energy: 5.236
local terms energy: -367.636868
where:
bonds (distance) C4'-P energy: -96.975
bonds (distance) P-C4' energy: -105.366
flat angles C4'-P-C4' energy: -91.856
flat angles P-C4'-P energy: -60.249
tors. eta vs tors. theta energy: -13.191
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: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -511.106263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.106263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.106263 (E_RNA)
where:
Base-Base interactions energy: -170.774
where: short stacking energy: -157.228
Base-Backbone interact. energy: 1.834
local terms energy: -342.166223
where:
bonds (distance) C4'-P energy: -99.492
bonds (distance) P-C4' energy: -117.097
flat angles C4'-P-C4' energy: -85.712
flat angles P-C4'-P energy: -60.395
tors. eta vs tors. theta energy: 20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1961.974861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.974861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.974861 (E_RNA)
where:
Base-Base interactions energy: -1266.736
where: short stacking energy: -635.336
Base-Backbone interact. energy: -4.426
local terms energy: -690.813527
where:
bonds (distance) C4'-P energy: -144.067
bonds (distance) P-C4' energy: -135.124
flat angles C4'-P-C4' energy: -150.555
flat angles P-C4'-P energy: -82.213
tors. eta vs tors. theta energy: -178.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1755.007306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.007306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.007306 (E_RNA)
where:
Base-Base interactions energy: -1120.934
where: short stacking energy: -531.050
Base-Backbone interact. energy: -3.561
local terms energy: -630.512682
where:
bonds (distance) C4'-P energy: -137.712
bonds (distance) P-C4' energy: -127.141
flat angles C4'-P-C4' energy: -135.503
flat angles P-C4'-P energy: -95.192
tors. eta vs tors. theta energy: -134.964
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: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1547.790521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.790521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.790521 (E_RNA)
where:
Base-Base interactions energy: -972.859
where: short stacking energy: -491.662
Base-Backbone interact. energy: 0.388
local terms energy: -575.319375
where:
bonds (distance) C4'-P energy: -112.611
bonds (distance) P-C4' energy: -127.759
flat angles C4'-P-C4' energy: -133.856
flat angles P-C4'-P energy: -81.063
tors. eta vs tors. theta energy: -120.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1390.410655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.410655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.410655 (E_RNA)
where:
Base-Base interactions energy: -833.586
where: short stacking energy: -403.103
Base-Backbone interact. energy: -5.391
local terms energy: -551.433266
where:
bonds (distance) C4'-P energy: -109.258
bonds (distance) P-C4' energy: -132.872
flat angles C4'-P-C4' energy: -130.448
flat angles P-C4'-P energy: -88.336
tors. eta vs tors. theta energy: -90.519
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: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1331.197985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.197985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.197985 (E_RNA)
where:
Base-Base interactions energy: -796.316
where: short stacking energy: -383.209
Base-Backbone interact. energy: 3.002
local terms energy: -537.883373
where:
bonds (distance) C4'-P energy: -123.240
bonds (distance) P-C4' energy: -122.986
flat angles C4'-P-C4' energy: -122.358
flat angles P-C4'-P energy: -87.934
tors. eta vs tors. theta energy: -81.365
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: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1031.767607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.767607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.767607 (E_RNA)
where:
Base-Base interactions energy: -568.781
where: short stacking energy: -330.055
Base-Backbone interact. energy: -0.533
local terms energy: -462.454269
where:
bonds (distance) C4'-P energy: -107.832
bonds (distance) P-C4' energy: -122.180
flat angles C4'-P-C4' energy: -107.515
flat angles P-C4'-P energy: -75.622
tors. eta vs tors. theta energy: -49.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -920.318382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.318382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.318382 (E_RNA)
where:
Base-Base interactions energy: -457.004
where: short stacking energy: -280.228
Base-Backbone interact. energy: 2.697
local terms energy: -466.011455
where:
bonds (distance) C4'-P energy: -110.089
bonds (distance) P-C4' energy: -116.740
flat angles C4'-P-C4' energy: -120.416
flat angles P-C4'-P energy: -67.428
tors. eta vs tors. theta energy: -51.339
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: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -863.210260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.210260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.210260 (E_RNA)
where:
Base-Base interactions energy: -468.308
where: short stacking energy: -264.987
Base-Backbone interact. energy: -1.390
local terms energy: -393.512093
where:
bonds (distance) C4'-P energy: -119.989
bonds (distance) P-C4' energy: -108.142
flat angles C4'-P-C4' energy: -90.792
flat angles P-C4'-P energy: -45.440
tors. eta vs tors. theta energy: -29.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -625.678027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.678027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.678027 (E_RNA)
where:
Base-Base interactions energy: -278.145
where: short stacking energy: -156.959
Base-Backbone interact. energy: 4.670
local terms energy: -352.203245
where:
bonds (distance) C4'-P energy: -107.931
bonds (distance) P-C4' energy: -113.790
flat angles C4'-P-C4' energy: -90.922
flat angles P-C4'-P energy: -60.786
tors. eta vs tors. theta energy: 21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -538.541277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.541277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.541277 (E_RNA)
where:
Base-Base interactions energy: -190.086
where: short stacking energy: -160.588
Base-Backbone interact. energy: -0.119
local terms energy: -348.336112
where:
bonds (distance) C4'-P energy: -96.552
bonds (distance) P-C4' energy: -113.748
flat angles C4'-P-C4' energy: -81.480
flat angles P-C4'-P energy: -69.720
tors. eta vs tors. theta energy: 13.164
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: 1, replica: 8
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1929.744242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.744242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.744242 (E_RNA)
where:
Base-Base interactions energy: -1241.162
where: short stacking energy: -607.330
Base-Backbone interact. energy: -3.330
local terms energy: -685.252710
where:
bonds (distance) C4'-P energy: -119.622
bonds (distance) P-C4' energy: -135.701
flat angles C4'-P-C4' energy: -150.883
flat angles P-C4'-P energy: -96.274
tors. eta vs tors. theta energy: -182.772
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: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1739.451219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.451219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.451219 (E_RNA)
where:
Base-Base interactions energy: -1109.150
where: short stacking energy: -561.134
Base-Backbone interact. energy: 4.349
local terms energy: -634.650536
where:
bonds (distance) C4'-P energy: -113.084
bonds (distance) P-C4' energy: -133.852
flat angles C4'-P-C4' energy: -140.642
flat angles P-C4'-P energy: -87.537
tors. eta vs tors. theta energy: -159.536
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: 23
Temperature: 1.000000
Total energy: -1565.116489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.116489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.116489 (E_RNA)
where:
Base-Base interactions energy: -977.567
where: short stacking energy: -505.957
Base-Backbone interact. energy: -5.442
local terms energy: -582.106859
where:
bonds (distance) C4'-P energy: -113.480
bonds (distance) P-C4' energy: -115.132
flat angles C4'-P-C4' energy: -147.636
flat angles P-C4'-P energy: -83.403
tors. eta vs tors. theta energy: -122.456
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: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1440.527806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.527806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.527806 (E_RNA)
where:
Base-Base interactions energy: -887.968
where: short stacking energy: -443.567
Base-Backbone interact. energy: -2.479
local terms energy: -550.081457
where:
bonds (distance) C4'-P energy: -123.794
bonds (distance) P-C4' energy: -125.374
flat angles C4'-P-C4' energy: -126.071
flat angles P-C4'-P energy: -87.645
tors. eta vs tors. theta energy: -87.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1292.816833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.816833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.816833 (E_RNA)
where:
Base-Base interactions energy: -775.641
where: short stacking energy: -371.496
Base-Backbone interact. energy: -2.861
local terms energy: -514.314350
where:
bonds (distance) C4'-P energy: -122.102
bonds (distance) P-C4' energy: -114.381
flat angles C4'-P-C4' energy: -127.547
flat angles P-C4'-P energy: -77.495
tors. eta vs tors. theta energy: -72.789
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: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -924.339021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.339021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.339021 (E_RNA)
where:
Base-Base interactions energy: -478.850
where: short stacking energy: -270.005
Base-Backbone interact. energy: -2.601
local terms energy: -442.888213
where:
bonds (distance) C4'-P energy: -114.831
bonds (distance) P-C4' energy: -112.974
flat angles C4'-P-C4' energy: -117.331
flat angles P-C4'-P energy: -70.844
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: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -868.981756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.981756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.981756 (E_RNA)
where:
Base-Base interactions energy: -460.101
where: short stacking energy: -258.162
Base-Backbone interact. energy: 0.147
local terms energy: -409.028417
where:
bonds (distance) C4'-P energy: -109.366
bonds (distance) P-C4' energy: -113.645
flat angles C4'-P-C4' energy: -103.405
flat angles P-C4'-P energy: -53.996
tors. eta vs tors. theta energy: -28.617
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: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -965.113031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.113031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.113031 (E_RNA)
where:
Base-Base interactions energy: -544.845
where: short stacking energy: -283.105
Base-Backbone interact. energy: 6.495
local terms energy: -426.762823
where:
bonds (distance) C4'-P energy: -100.816
bonds (distance) P-C4' energy: -115.288
flat angles C4'-P-C4' energy: -110.378
flat angles P-C4'-P energy: -71.581
tors. eta vs tors. theta energy: -28.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -667.506758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.506758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.506758 (E_RNA)
where:
Base-Base interactions energy: -279.766
where: short stacking energy: -194.664
Base-Backbone interact. energy: 0.345
local terms energy: -388.085607
where:
bonds (distance) C4'-P energy: -115.571
bonds (distance) P-C4' energy: -112.160
flat angles C4'-P-C4' energy: -101.307
flat angles P-C4'-P energy: -65.549
tors. eta vs tors. theta energy: 6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -538.115125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.115125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.115125 (E_RNA)
where:
Base-Base interactions energy: -193.958
where: short stacking energy: -163.528
Base-Backbone interact. energy: 3.473
local terms energy: -347.630622
where:
bonds (distance) C4'-P energy: -108.445
bonds (distance) P-C4' energy: -116.723
flat angles C4'-P-C4' energy: -83.349
flat angles P-C4'-P energy: -64.790
tors. eta vs tors. theta energy: 25.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1958.421718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.421718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.421718 (E_RNA)
where:
Base-Base interactions energy: -1298.421
where: short stacking energy: -631.855
Base-Backbone interact. energy: -0.895
local terms energy: -659.105274
where:
bonds (distance) C4'-P energy: -125.541
bonds (distance) P-C4' energy: -129.263
flat angles C4'-P-C4' energy: -136.779
flat angles P-C4'-P energy: -99.909
tors. eta vs tors. theta energy: -167.614
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: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1722.540596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.540596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.540596 (E_RNA)
where:
Base-Base interactions energy: -1067.847
where: short stacking energy: -557.616
Base-Backbone interact. energy: -2.631
local terms energy: -652.063060
where:
bonds (distance) C4'-P energy: -142.368
bonds (distance) P-C4' energy: -115.013
flat angles C4'-P-C4' energy: -146.419
flat angles P-C4'-P energy: -88.445
tors. eta vs tors. theta energy: -159.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1554.950858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.950858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.950858 (E_RNA)
where:
Base-Base interactions energy: -969.947
where: short stacking energy: -487.315
Base-Backbone interact. energy: -0.098
local terms energy: -584.906048
where:
bonds (distance) C4'-P energy: -103.525
bonds (distance) P-C4' energy: -124.680
flat angles C4'-P-C4' energy: -132.032
flat angles P-C4'-P energy: -96.793
tors. eta vs tors. theta energy: -127.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1422.611716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.611716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.611716 (E_RNA)
where:
Base-Base interactions energy: -867.686
where: short stacking energy: -425.924
Base-Backbone interact. energy: -5.980
local terms energy: -548.945835
where:
bonds (distance) C4'-P energy: -123.087
bonds (distance) P-C4' energy: -133.240
flat angles C4'-P-C4' energy: -124.790
flat angles P-C4'-P energy: -72.305
tors. eta vs tors. theta energy: -95.524
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: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1310.107854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.107854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.107854 (E_RNA)
where:
Base-Base interactions energy: -789.007
where: short stacking energy: -393.454
Base-Backbone interact. energy: -3.634
local terms energy: -517.466941
where:
bonds (distance) C4'-P energy: -119.875
bonds (distance) P-C4' energy: -134.208
flat angles C4'-P-C4' energy: -119.492
flat angles P-C4'-P energy: -68.679
tors. eta vs tors. theta energy: -75.214
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: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1033.862808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.862808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.862808 (E_RNA)
where:
Base-Base interactions energy: -582.781
where: short stacking energy: -335.143
Base-Backbone interact. energy: -3.086
local terms energy: -447.996568
where:
bonds (distance) C4'-P energy: -103.329
bonds (distance) P-C4' energy: -108.964
flat angles C4'-P-C4' energy: -101.922
flat angles P-C4'-P energy: -69.635
tors. eta vs tors. theta energy: -64.146
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: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1002.809659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.809659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.809659 (E_RNA)
where:
Base-Base interactions energy: -559.445
where: short stacking energy: -297.494
Base-Backbone interact. energy: 2.688
local terms energy: -446.052544
where:
bonds (distance) C4'-P energy: -110.097
bonds (distance) P-C4' energy: -136.854
flat angles C4'-P-C4' energy: -104.402
flat angles P-C4'-P energy: -68.861
tors. eta vs tors. theta energy: -25.839
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: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -736.097607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.097607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.097607 (E_RNA)
where:
Base-Base interactions energy: -349.590
where: short stacking energy: -222.861
Base-Backbone interact. energy: -2.541
local terms energy: -383.967495
where:
bonds (distance) C4'-P energy: -103.856
bonds (distance) P-C4' energy: -104.627
flat angles C4'-P-C4' energy: -105.086
flat angles P-C4'-P energy: -59.707
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -660.915634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.915634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.915634 (E_RNA)
where:
Base-Base interactions energy: -289.996
where: short stacking energy: -184.796
Base-Backbone interact. energy: 3.820
local terms energy: -374.739503
where:
bonds (distance) C4'-P energy: -104.436
bonds (distance) P-C4' energy: -122.632
flat angles C4'-P-C4' energy: -98.552
flat angles P-C4'-P energy: -63.387
tors. eta vs tors. theta energy: 14.268
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: 24
Temperature: 1.350000
Total energy: -512.527065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.527065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.527065 (E_RNA)
where:
Base-Base interactions energy: -174.936
where: short stacking energy: -163.049
Base-Backbone interact. energy: 1.206
local terms energy: -338.797074
where:
bonds (distance) C4'-P energy: -93.867
bonds (distance) P-C4' energy: -107.329
flat angles C4'-P-C4' energy: -84.887
flat angles P-C4'-P energy: -73.020
tors. eta vs tors. theta energy: 20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1944.885574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.885574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.885574 (E_RNA)
where:
Base-Base interactions energy: -1249.614
where: short stacking energy: -599.277
Base-Backbone interact. energy: -1.903
local terms energy: -693.368734
where:
bonds (distance) C4'-P energy: -136.923
bonds (distance) P-C4' energy: -140.771
flat angles C4'-P-C4' energy: -140.067
flat angles P-C4'-P energy: -103.721
tors. eta vs tors. theta energy: -171.887
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1751.924524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.924524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.924524 (E_RNA)
where:
Base-Base interactions energy: -1113.532
where: short stacking energy: -545.922
Base-Backbone interact. energy: -0.701
local terms energy: -637.691698
where:
bonds (distance) C4'-P energy: -125.534
bonds (distance) P-C4' energy: -140.200
flat angles C4'-P-C4' energy: -143.947
flat angles P-C4'-P energy: -75.787
tors. eta vs tors. theta energy: -152.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1544.275236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.275236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.275236 (E_RNA)
where:
Base-Base interactions energy: -967.541
where: short stacking energy: -498.757
Base-Backbone interact. energy: -4.334
local terms energy: -572.400612
where:
bonds (distance) C4'-P energy: -112.610
bonds (distance) P-C4' energy: -108.806
flat angles C4'-P-C4' energy: -146.368
flat angles P-C4'-P energy: -84.770
tors. eta vs tors. theta energy: -119.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1473.932911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.932911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.932911 (E_RNA)
where:
Base-Base interactions energy: -908.052
where: short stacking energy: -428.153
Base-Backbone interact. energy: -0.127
local terms energy: -565.754126
where:
bonds (distance) C4'-P energy: -122.257
bonds (distance) P-C4' energy: -124.571
flat angles C4'-P-C4' energy: -138.461
flat angles P-C4'-P energy: -84.462
tors. eta vs tors. theta energy: -96.004
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: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1308.621574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.621574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.621574 (E_RNA)
where:
Base-Base interactions energy: -786.171
where: short stacking energy: -400.161
Base-Backbone interact. energy: -4.728
local terms energy: -517.722213
where:
bonds (distance) C4'-P energy: -118.781
bonds (distance) P-C4' energy: -109.178
flat angles C4'-P-C4' energy: -125.887
flat angles P-C4'-P energy: -73.326
tors. eta vs tors. theta energy: -90.550
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: 6, replica: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1044.693111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.693111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.693111 (E_RNA)
where:
Base-Base interactions energy: -586.886
where: short stacking energy: -293.715
Base-Backbone interact. energy: -1.730
local terms energy: -456.077860
where:
bonds (distance) C4'-P energy: -109.212
bonds (distance) P-C4' energy: -122.697
flat angles C4'-P-C4' energy: -119.413
flat angles P-C4'-P energy: -70.205
tors. eta vs tors. theta energy: -34.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1024.308060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.308060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.308060 (E_RNA)
where:
Base-Base interactions energy: -569.296
where: short stacking energy: -301.830
Base-Backbone interact. energy: 2.143
local terms energy: -457.155246
where:
bonds (distance) C4'-P energy: -108.881
bonds (distance) P-C4' energy: -111.536
flat angles C4'-P-C4' energy: -113.335
flat angles P-C4'-P energy: -78.263
tors. eta vs tors. theta energy: -45.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -831.688106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.688106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.688106 (E_RNA)
where:
Base-Base interactions energy: -401.009
where: short stacking energy: -250.612
Base-Backbone interact. energy: -0.340
local terms energy: -430.339864
where:
bonds (distance) C4'-P energy: -119.754
bonds (distance) P-C4' energy: -112.290
flat angles C4'-P-C4' energy: -103.961
flat angles P-C4'-P energy: -69.819
tors. eta vs tors. theta energy: -24.515
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: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -549.802004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.802004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.802004 (E_RNA)
where:
Base-Base interactions energy: -203.058
where: short stacking energy: -162.842
Base-Backbone interact. energy: -1.818
local terms energy: -344.926253
where:
bonds (distance) C4'-P energy: -102.053
bonds (distance) P-C4' energy: -103.370
flat angles C4'-P-C4' energy: -97.705
flat angles P-C4'-P energy: -62.769
tors. eta vs tors. theta energy: 20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -513.483041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.483041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.483041 (E_RNA)
where:
Base-Base interactions energy: -161.486
where: short stacking energy: -138.320
Base-Backbone interact. energy: -1.540
local terms energy: -350.456340
where:
bonds (distance) C4'-P energy: -114.886
bonds (distance) P-C4' energy: -112.943
flat angles C4'-P-C4' energy: -85.029
flat angles P-C4'-P energy: -64.908
tors. eta vs tors. theta energy: 27.310
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: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1966.965969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.965969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.965969 (E_RNA)
where:
Base-Base interactions energy: -1287.706
where: short stacking energy: -627.720
Base-Backbone interact. energy: -6.635
local terms energy: -672.624897
where:
bonds (distance) C4'-P energy: -116.281
bonds (distance) P-C4' energy: -135.761
flat angles C4'-P-C4' energy: -145.947
flat angles P-C4'-P energy: -86.444
tors. eta vs tors. theta energy: -188.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1754.534679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.534679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.534679 (E_RNA)
where:
Base-Base interactions energy: -1109.765
where: short stacking energy: -546.212
Base-Backbone interact. energy: -4.420
local terms energy: -640.348850
where:
bonds (distance) C4'-P energy: -130.840
bonds (distance) P-C4' energy: -126.332
flat angles C4'-P-C4' energy: -134.569
flat angles P-C4'-P energy: -99.908
tors. eta vs tors. theta energy: -148.699
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: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1556.157956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.157956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.157956 (E_RNA)
where:
Base-Base interactions energy: -955.279
where: short stacking energy: -462.428
Base-Backbone interact. energy: -2.052
local terms energy: -598.826973
where:
bonds (distance) C4'-P energy: -109.593
bonds (distance) P-C4' energy: -129.115
flat angles C4'-P-C4' energy: -136.253
flat angles P-C4'-P energy: -97.522
tors. eta vs tors. theta energy: -126.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1455.461442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.461442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.461442 (E_RNA)
where:
Base-Base interactions energy: -900.638
where: short stacking energy: -419.867
Base-Backbone interact. energy: -2.924
local terms energy: -551.900093
where:
bonds (distance) C4'-P energy: -121.246
bonds (distance) P-C4' energy: -118.413
flat angles C4'-P-C4' energy: -121.141
flat angles P-C4'-P energy: -89.545
tors. eta vs tors. theta energy: -101.555
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: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1315.168674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.168674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.168674 (E_RNA)
where:
Base-Base interactions energy: -820.202
where: short stacking energy: -376.001
Base-Backbone interact. energy: -1.240
local terms energy: -493.726093
where:
bonds (distance) C4'-P energy: -109.654
bonds (distance) P-C4' energy: -102.954
flat angles C4'-P-C4' energy: -118.721
flat angles P-C4'-P energy: -82.288
tors. eta vs tors. theta energy: -80.110
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: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1049.970719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.970719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.970719 (E_RNA)
where:
Base-Base interactions energy: -574.944
where: short stacking energy: -313.521
Base-Backbone interact. energy: 2.636
local terms energy: -477.663331
where:
bonds (distance) C4'-P energy: -112.070
bonds (distance) P-C4' energy: -117.948
flat angles C4'-P-C4' energy: -109.258
flat angles P-C4'-P energy: -86.189
tors. eta vs tors. theta energy: -52.198
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: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1024.498174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.498174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.498174 (E_RNA)
where:
Base-Base interactions energy: -580.112
where: short stacking energy: -307.558
Base-Backbone interact. energy: 8.729
local terms energy: -453.114949
where:
bonds (distance) C4'-P energy: -109.889
bonds (distance) P-C4' energy: -114.570
flat angles C4'-P-C4' energy: -110.840
flat angles P-C4'-P energy: -65.396
tors. eta vs tors. theta energy: -52.421
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: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -703.148945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.148945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.148945 (E_RNA)
where:
Base-Base interactions energy: -305.828
where: short stacking energy: -190.179
Base-Backbone interact. energy: -3.889
local terms energy: -393.431949
where:
bonds (distance) C4'-P energy: -94.963
bonds (distance) P-C4' energy: -112.962
flat angles C4'-P-C4' energy: -109.498
flat angles P-C4'-P energy: -66.550
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -581.501685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.501685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.501685 (E_RNA)
where:
Base-Base interactions energy: -228.569
where: short stacking energy: -163.721
Base-Backbone interact. energy: 1.709
local terms energy: -354.641605
where:
bonds (distance) C4'-P energy: -99.342
bonds (distance) P-C4' energy: -113.361
flat angles C4'-P-C4' energy: -98.688
flat angles P-C4'-P energy: -66.506
tors. eta vs tors. theta energy: 23.254
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: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -516.506499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.506499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.506499 (E_RNA)
where:
Base-Base interactions energy: -170.406
where: short stacking energy: -136.284
Base-Backbone interact. energy: 2.735
local terms energy: -348.835493
where:
bonds (distance) C4'-P energy: -116.889
bonds (distance) P-C4' energy: -118.856
flat angles C4'-P-C4' energy: -72.022
flat angles P-C4'-P energy: -56.475
tors. eta vs tors. theta energy: 15.406
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: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1979.436630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.436630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.436630 (E_RNA)
where:
Base-Base interactions energy: -1275.306
where: short stacking energy: -616.182
Base-Backbone interact. energy: -1.403
local terms energy: -702.727633
where:
bonds (distance) C4'-P energy: -136.163
bonds (distance) P-C4' energy: -147.560
flat angles C4'-P-C4' energy: -146.681
flat angles P-C4'-P energy: -94.168
tors. eta vs tors. theta energy: -178.155
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: 27
Temperature: 0.950000
Total energy: -1781.200699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.200699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.200699 (E_RNA)
where:
Base-Base interactions energy: -1115.265
where: short stacking energy: -569.130
Base-Backbone interact. energy: -3.571
local terms energy: -662.364612
where:
bonds (distance) C4'-P energy: -134.511
bonds (distance) P-C4' energy: -122.696
flat angles C4'-P-C4' energy: -141.603
flat angles P-C4'-P energy: -93.003
tors. eta vs tors. theta energy: -170.551
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: 3, replica: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1566.798721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.798721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.798721 (E_RNA)
where:
Base-Base interactions energy: -986.784
where: short stacking energy: -505.859
Base-Backbone interact. energy: -2.448
local terms energy: -577.567059
where:
bonds (distance) C4'-P energy: -128.970
bonds (distance) P-C4' energy: -120.621
flat angles C4'-P-C4' energy: -127.483
flat angles P-C4'-P energy: -73.217
tors. eta vs tors. theta energy: -127.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1439.958020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.958020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.958020 (E_RNA)
where:
Base-Base interactions energy: -869.692
where: short stacking energy: -417.525
Base-Backbone interact. energy: -1.817
local terms energy: -568.448498
where:
bonds (distance) C4'-P energy: -126.910
bonds (distance) P-C4' energy: -128.308
flat angles C4'-P-C4' energy: -132.584
flat angles P-C4'-P energy: -91.625
tors. eta vs tors. theta energy: -89.021
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: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1355.413121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.413121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.413121 (E_RNA)
where:
Base-Base interactions energy: -822.884
where: short stacking energy: -400.784
Base-Backbone interact. energy: 2.001
local terms energy: -534.530385
where:
bonds (distance) C4'-P energy: -117.780
bonds (distance) P-C4' energy: -118.432
flat angles C4'-P-C4' energy: -138.254
flat angles P-C4'-P energy: -79.161
tors. eta vs tors. theta energy: -80.903
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: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1142.867591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.867591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.867591 (E_RNA)
where:
Base-Base interactions energy: -646.517
where: short stacking energy: -351.408
Base-Backbone interact. energy: 0.885
local terms energy: -497.235777
where:
bonds (distance) C4'-P energy: -103.672
bonds (distance) P-C4' energy: -132.925
flat angles C4'-P-C4' energy: -108.137
flat angles P-C4'-P energy: -80.529
tors. eta vs tors. theta energy: -71.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1032.897763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.897763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.897763 (E_RNA)
where:
Base-Base interactions energy: -618.671
where: short stacking energy: -305.029
Base-Backbone interact. energy: -1.603
local terms energy: -412.624002
where:
bonds (distance) C4'-P energy: -101.087
bonds (distance) P-C4' energy: -123.607
flat angles C4'-P-C4' energy: -94.702
flat angles P-C4'-P energy: -68.104
tors. eta vs tors. theta energy: -25.123
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: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -728.089769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.089769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.089769 (E_RNA)
where:
Base-Base interactions energy: -335.733
where: short stacking energy: -224.140
Base-Backbone interact. energy: 3.147
local terms energy: -395.503099
where:
bonds (distance) C4'-P energy: -98.430
bonds (distance) P-C4' energy: -108.316
flat angles C4'-P-C4' energy: -100.978
flat angles P-C4'-P energy: -70.218
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -682.304802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.304802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.304802 (E_RNA)
where:
Base-Base interactions energy: -297.976
where: short stacking energy: -205.956
Base-Backbone interact. energy: 0.324
local terms energy: -384.652833
where:
bonds (distance) C4'-P energy: -99.682
bonds (distance) P-C4' energy: -124.890
flat angles C4'-P-C4' energy: -113.410
flat angles P-C4'-P energy: -44.528
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: 27
Temperature: 1.350000
Total energy: -545.860679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.860679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.860679 (E_RNA)
where:
Base-Base interactions energy: -222.882
where: short stacking energy: -147.453
Base-Backbone interact. energy: -0.121
local terms energy: -322.857917
where:
bonds (distance) C4'-P energy: -93.737
bonds (distance) P-C4' energy: -110.675
flat angles C4'-P-C4' energy: -98.907
flat angles P-C4'-P energy: -45.862
tors. eta vs tors. theta energy: 26.324
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: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1962.905932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.905932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.905932 (E_RNA)
where:
Base-Base interactions energy: -1260.226
where: short stacking energy: -591.994
Base-Backbone interact. energy: -1.676
local terms energy: -701.004108
where:
bonds (distance) C4'-P energy: -138.151
bonds (distance) P-C4' energy: -136.515
flat angles C4'-P-C4' energy: -151.675
flat angles P-C4'-P energy: -105.709
tors. eta vs tors. theta energy: -168.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1746.788121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.788121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.788121 (E_RNA)
where:
Base-Base interactions energy: -1107.467
where: short stacking energy: -539.552
Base-Backbone interact. energy: -0.337
local terms energy: -638.984847
where:
bonds (distance) C4'-P energy: -117.213
bonds (distance) P-C4' energy: -136.427
flat angles C4'-P-C4' energy: -148.878
flat angles P-C4'-P energy: -86.757
tors. eta vs tors. theta energy: -149.711
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: 10
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1610.927220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.927220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.927220 (E_RNA)
where:
Base-Base interactions energy: -1012.129
where: short stacking energy: -513.909
Base-Backbone interact. energy: -1.041
local terms energy: -597.758063
where:
bonds (distance) C4'-P energy: -113.862
bonds (distance) P-C4' energy: -131.177
flat angles C4'-P-C4' energy: -137.114
flat angles P-C4'-P energy: -89.904
tors. eta vs tors. theta energy: -125.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1463.439357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.439357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.439357 (E_RNA)
where:
Base-Base interactions energy: -930.241
where: short stacking energy: -464.152
Base-Backbone interact. energy: -1.632
local terms energy: -531.565876
where:
bonds (distance) C4'-P energy: -108.773
bonds (distance) P-C4' energy: -127.561
flat angles C4'-P-C4' energy: -116.455
flat angles P-C4'-P energy: -62.623
tors. eta vs tors. theta energy: -116.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1434.507557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.507557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.507557 (E_RNA)
where:
Base-Base interactions energy: -868.736
where: short stacking energy: -425.274
Base-Backbone interact. energy: 1.769
local terms energy: -567.540557
where:
bonds (distance) C4'-P energy: -116.259
bonds (distance) P-C4' energy: -137.583
flat angles C4'-P-C4' energy: -123.853
flat angles P-C4'-P energy: -92.829
tors. eta vs tors. theta energy: -97.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1175.386974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.386974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.386974 (E_RNA)
where:
Base-Base interactions energy: -685.794
where: short stacking energy: -354.429
Base-Backbone interact. energy: 2.873
local terms energy: -492.465447
where:
bonds (distance) C4'-P energy: -120.892
bonds (distance) P-C4' energy: -124.411
flat angles C4'-P-C4' energy: -104.865
flat angles P-C4'-P energy: -75.052
tors. eta vs tors. theta energy: -67.246
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: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1018.413617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.413617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.413617 (E_RNA)
where:
Base-Base interactions energy: -575.345
where: short stacking energy: -309.548
Base-Backbone interact. energy: -0.317
local terms energy: -442.751078
where:
bonds (distance) C4'-P energy: -105.759
bonds (distance) P-C4' energy: -113.282
flat angles C4'-P-C4' energy: -115.820
flat angles P-C4'-P energy: -65.972
tors. eta vs tors. theta energy: -41.918
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: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -796.542729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.542729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.542729 (E_RNA)
where:
Base-Base interactions energy: -385.954
where: short stacking energy: -243.962
Base-Backbone interact. energy: 7.762
local terms energy: -418.350786
where:
bonds (distance) C4'-P energy: -105.148
bonds (distance) P-C4' energy: -114.062
flat angles C4'-P-C4' energy: -107.298
flat angles P-C4'-P energy: -59.880
tors. eta vs tors. theta energy: -31.963
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: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -648.537141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.537141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.537141 (E_RNA)
where:
Base-Base interactions energy: -300.129
where: short stacking energy: -187.227
Base-Backbone interact. energy: -0.621
local terms energy: -347.786380
where:
bonds (distance) C4'-P energy: -108.184
bonds (distance) P-C4' energy: -100.024
flat angles C4'-P-C4' energy: -95.522
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: 6.706
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: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -516.429482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.429482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.429482 (E_RNA)
where:
Base-Base interactions energy: -177.798
where: short stacking energy: -151.610
Base-Backbone interact. energy: 2.625
local terms energy: -341.256685
where:
bonds (distance) C4'-P energy: -106.797
bonds (distance) P-C4' energy: -109.912
flat angles C4'-P-C4' energy: -97.339
flat angles P-C4'-P energy: -49.893
tors. eta vs tors. theta energy: 22.684
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: 1, replica: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2012.907613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.907613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.907613 (E_RNA)
where:
Base-Base interactions energy: -1319.567
where: short stacking energy: -633.641
Base-Backbone interact. energy: -3.721
local terms energy: -689.619828
where:
bonds (distance) C4'-P energy: -135.195
bonds (distance) P-C4' energy: -130.193
flat angles C4'-P-C4' energy: -144.167
flat angles P-C4'-P energy: -98.424
tors. eta vs tors. theta energy: -181.641
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: 29
Temperature: 0.950000
Total energy: -1775.428036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.428036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.428036 (E_RNA)
where:
Base-Base interactions energy: -1137.307
where: short stacking energy: -576.393
Base-Backbone interact. energy: -2.034
local terms energy: -636.087813
where:
bonds (distance) C4'-P energy: -123.032
bonds (distance) P-C4' energy: -127.350
flat angles C4'-P-C4' energy: -147.703
flat angles P-C4'-P energy: -72.776
tors. eta vs tors. theta energy: -165.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1646.907748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.907748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.907748 (E_RNA)
where:
Base-Base interactions energy: -1062.132
where: short stacking energy: -506.890
Base-Backbone interact. energy: -1.788
local terms energy: -582.987929
where:
bonds (distance) C4'-P energy: -122.912
bonds (distance) P-C4' energy: -126.809
flat angles C4'-P-C4' energy: -133.494
flat angles P-C4'-P energy: -82.806
tors. eta vs tors. theta energy: -116.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1465.175004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.175004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.175004 (E_RNA)
where:
Base-Base interactions energy: -906.374
where: short stacking energy: -473.265
Base-Backbone interact. energy: -1.460
local terms energy: -557.341063
where:
bonds (distance) C4'-P energy: -119.006
bonds (distance) P-C4' energy: -120.813
flat angles C4'-P-C4' energy: -122.595
flat angles P-C4'-P energy: -93.189
tors. eta vs tors. theta energy: -101.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1420.971777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.971777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.971777 (E_RNA)
where:
Base-Base interactions energy: -861.079
where: short stacking energy: -441.432
Base-Backbone interact. energy: -0.890
local terms energy: -559.002423
where:
bonds (distance) C4'-P energy: -128.875
bonds (distance) P-C4' energy: -119.041
flat angles C4'-P-C4' energy: -135.282
flat angles P-C4'-P energy: -71.235
tors. eta vs tors. theta energy: -104.569
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: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1195.729465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.729465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.729465 (E_RNA)
where:
Base-Base interactions energy: -700.385
where: short stacking energy: -366.639
Base-Backbone interact. energy: 1.057
local terms energy: -496.401789
where:
bonds (distance) C4'-P energy: -99.687
bonds (distance) P-C4' energy: -116.646
flat angles C4'-P-C4' energy: -117.692
flat angles P-C4'-P energy: -79.169
tors. eta vs tors. theta energy: -83.208
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: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1024.614778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.614778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.614778 (E_RNA)
where:
Base-Base interactions energy: -579.316
where: short stacking energy: -314.870
Base-Backbone interact. energy: 0.126
local terms energy: -445.424125
where:
bonds (distance) C4'-P energy: -110.641
bonds (distance) P-C4' energy: -106.756
flat angles C4'-P-C4' energy: -120.318
flat angles P-C4'-P energy: -69.585
tors. eta vs tors. theta energy: -38.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -857.138633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.138633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.138633 (E_RNA)
where:
Base-Base interactions energy: -451.423
where: short stacking energy: -264.456
Base-Backbone interact. energy: 1.719
local terms energy: -407.434204
where:
bonds (distance) C4'-P energy: -102.442
bonds (distance) P-C4' energy: -113.885
flat angles C4'-P-C4' energy: -113.723
flat angles P-C4'-P energy: -64.497
tors. eta vs tors. theta energy: -12.887
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: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -639.087034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.087034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.087034 (E_RNA)
where:
Base-Base interactions energy: -249.169
where: short stacking energy: -164.674
Base-Backbone interact. energy: 0.872
local terms energy: -390.790105
where:
bonds (distance) C4'-P energy: -116.307
bonds (distance) P-C4' energy: -126.491
flat angles C4'-P-C4' energy: -88.142
flat angles P-C4'-P energy: -73.869
tors. eta vs tors. theta energy: 14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -507.083806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.083806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.083806 (E_RNA)
where:
Base-Base interactions energy: -203.557
where: short stacking energy: -133.338
Base-Backbone interact. energy: 3.162
local terms energy: -306.689025
where:
bonds (distance) C4'-P energy: -123.391
bonds (distance) P-C4' energy: -103.424
flat angles C4'-P-C4' energy: -87.527
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: 28.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1984.353756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.353756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.353756 (E_RNA)
where:
Base-Base interactions energy: -1307.238
where: short stacking energy: -606.121
Base-Backbone interact. energy: -3.469
local terms energy: -673.647181
where:
bonds (distance) C4'-P energy: -123.778
bonds (distance) P-C4' energy: -124.196
flat angles C4'-P-C4' energy: -146.947
flat angles P-C4'-P energy: -102.251
tors. eta vs tors. theta energy: -176.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1773.005038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.005038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.005038 (E_RNA)
where:
Base-Base interactions energy: -1114.196
where: short stacking energy: -526.932
Base-Backbone interact. energy: 0.293
local terms energy: -659.102675
where:
bonds (distance) C4'-P energy: -150.145
bonds (distance) P-C4' energy: -128.881
flat angles C4'-P-C4' energy: -139.277
flat angles P-C4'-P energy: -95.877
tors. eta vs tors. theta energy: -144.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1719.386066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.386066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.386066 (E_RNA)
where:
Base-Base interactions energy: -1071.846
where: short stacking energy: -502.423
Base-Backbone interact. energy: -0.945
local terms energy: -646.594707
where:
bonds (distance) C4'-P energy: -141.578
bonds (distance) P-C4' energy: -129.391
flat angles C4'-P-C4' energy: -147.563
flat angles P-C4'-P energy: -79.852
tors. eta vs tors. theta energy: -148.210
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: 30
Temperature: 1.050000
Total energy: -1485.189478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.189478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.189478 (E_RNA)
where:
Base-Base interactions energy: -925.060
where: short stacking energy: -445.552
Base-Backbone interact. energy: -4.422
local terms energy: -555.707661
where:
bonds (distance) C4'-P energy: -108.833
bonds (distance) P-C4' energy: -122.165
flat angles C4'-P-C4' energy: -132.452
flat angles P-C4'-P energy: -87.684
tors. eta vs tors. theta energy: -104.574
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: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1358.767390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.767390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.767390 (E_RNA)
where:
Base-Base interactions energy: -820.967
where: short stacking energy: -394.215
Base-Backbone interact. energy: -1.847
local terms energy: -535.953474
where:
bonds (distance) C4'-P energy: -127.255
bonds (distance) P-C4' energy: -129.245
flat angles C4'-P-C4' energy: -124.912
flat angles P-C4'-P energy: -72.285
tors. eta vs tors. theta energy: -82.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1189.191741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.191741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.191741 (E_RNA)
where:
Base-Base interactions energy: -708.855
where: short stacking energy: -356.101
Base-Backbone interact. energy: 5.643
local terms energy: -485.979157
where:
bonds (distance) C4'-P energy: -120.421
bonds (distance) P-C4' energy: -117.974
flat angles C4'-P-C4' energy: -114.081
flat angles P-C4'-P energy: -71.010
tors. eta vs tors. theta energy: -62.493
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: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1113.946427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.946427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.946427 (E_RNA)
where:
Base-Base interactions energy: -644.957
where: short stacking energy: -332.109
Base-Backbone interact. energy: -3.347
local terms energy: -465.642534
where:
bonds (distance) C4'-P energy: -103.576
bonds (distance) P-C4' energy: -112.029
flat angles C4'-P-C4' energy: -117.780
flat angles P-C4'-P energy: -49.625
tors. eta vs tors. theta energy: -82.633
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: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -859.242553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.242553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.242553 (E_RNA)
where:
Base-Base interactions energy: -429.393
where: short stacking energy: -241.075
Base-Backbone interact. energy: 0.446
local terms energy: -430.295806
where:
bonds (distance) C4'-P energy: -114.578
bonds (distance) P-C4' energy: -114.795
flat angles C4'-P-C4' energy: -114.835
flat angles P-C4'-P energy: -57.307
tors. eta vs tors. theta energy: -28.781
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: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -694.203078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.203078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.203078 (E_RNA)
where:
Base-Base interactions energy: -311.999
where: short stacking energy: -209.892
Base-Backbone interact. energy: 5.082
local terms energy: -387.286467
where:
bonds (distance) C4'-P energy: -111.545
bonds (distance) P-C4' energy: -96.057
flat angles C4'-P-C4' energy: -98.217
flat angles P-C4'-P energy: -62.206
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -557.705699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.705699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.705699 (E_RNA)
where:
Base-Base interactions energy: -213.336
where: short stacking energy: -144.396
Base-Backbone interact. energy: -2.892
local terms energy: -341.477828
where:
bonds (distance) C4'-P energy: -111.435
bonds (distance) P-C4' energy: -96.557
flat angles C4'-P-C4' energy: -98.176
flat angles P-C4'-P energy: -54.485
tors. eta vs tors. theta energy: 19.176
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: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1931.174031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.174031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.174031 (E_RNA)
where:
Base-Base interactions energy: -1235.648
where: short stacking energy: -598.726
Base-Backbone interact. energy: 3.274
local terms energy: -698.799743
where:
bonds (distance) C4'-P energy: -128.443
bonds (distance) P-C4' energy: -144.744
flat angles C4'-P-C4' energy: -149.168
flat angles P-C4'-P energy: -98.228
tors. eta vs tors. theta energy: -178.216
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: 31
Temperature: 0.950000
Total energy: -1769.060318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.060318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.060318 (E_RNA)
where:
Base-Base interactions energy: -1162.389
where: short stacking energy: -556.799
Base-Backbone interact. energy: -0.492
local terms energy: -606.179369
where:
bonds (distance) C4'-P energy: -108.167
bonds (distance) P-C4' energy: -130.557
flat angles C4'-P-C4' energy: -147.659
flat angles P-C4'-P energy: -71.301
tors. eta vs tors. theta energy: -148.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1711.003367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.003367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.003367 (E_RNA)
where:
Base-Base interactions energy: -1101.677
where: short stacking energy: -542.676
Base-Backbone interact. energy: -4.152
local terms energy: -605.174724
where:
bonds (distance) C4'-P energy: -125.370
bonds (distance) P-C4' energy: -129.369
flat angles C4'-P-C4' energy: -120.731
flat angles P-C4'-P energy: -82.670
tors. eta vs tors. theta energy: -147.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1415.420770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.420770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.420770 (E_RNA)
where:
Base-Base interactions energy: -851.533
where: short stacking energy: -435.836
Base-Backbone interact. energy: -2.148
local terms energy: -561.739872
where:
bonds (distance) C4'-P energy: -115.588
bonds (distance) P-C4' energy: -120.148
flat angles C4'-P-C4' energy: -135.892
flat angles P-C4'-P energy: -95.037
tors. eta vs tors. theta energy: -95.074
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: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1422.260842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.260842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.260842 (E_RNA)
where:
Base-Base interactions energy: -887.208
where: short stacking energy: -451.973
Base-Backbone interact. energy: -1.012
local terms energy: -534.040581
where:
bonds (distance) C4'-P energy: -119.015
bonds (distance) P-C4' energy: -133.748
flat angles C4'-P-C4' energy: -121.513
flat angles P-C4'-P energy: -71.850
tors. eta vs tors. theta energy: -87.914
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: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1340.394906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.394906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.394906 (E_RNA)
where:
Base-Base interactions energy: -833.703
where: short stacking energy: -402.673
Base-Backbone interact. energy: 1.068
local terms energy: -507.759562
where:
bonds (distance) C4'-P energy: -122.395
bonds (distance) P-C4' energy: -115.890
flat angles C4'-P-C4' energy: -112.582
flat angles P-C4'-P energy: -76.440
tors. eta vs tors. theta energy: -80.453
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: 31
Temperature: 1.200000
Total energy: -1090.948439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.948439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.948439 (E_RNA)
where:
Base-Base interactions energy: -607.684
where: short stacking energy: -322.783
Base-Backbone interact. energy: -1.783
local terms energy: -481.481136
where:
bonds (distance) C4'-P energy: -123.926
bonds (distance) P-C4' energy: -120.022
flat angles C4'-P-C4' energy: -105.597
flat angles P-C4'-P energy: -65.092
tors. eta vs tors. theta energy: -66.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -949.647024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.647024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.647024 (E_RNA)
where:
Base-Base interactions energy: -527.718
where: short stacking energy: -284.321
Base-Backbone interact. energy: -2.446
local terms energy: -419.483105
where:
bonds (distance) C4'-P energy: -112.517
bonds (distance) P-C4' energy: -124.608
flat angles C4'-P-C4' energy: -92.908
flat angles P-C4'-P energy: -61.609
tors. eta vs tors. theta energy: -27.841
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: 31
Temperature: 1.300000
Total energy: -729.249759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.249759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.249759 (E_RNA)
where:
Base-Base interactions energy: -340.936
where: short stacking energy: -206.482
Base-Backbone interact. energy: 0.205
local terms energy: -388.519200
where:
bonds (distance) C4'-P energy: -127.331
bonds (distance) P-C4' energy: -108.556
flat angles C4'-P-C4' energy: -92.943
flat angles P-C4'-P energy: -56.508
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -527.778795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.778795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.778795 (E_RNA)
where:
Base-Base interactions energy: -193.941
where: short stacking energy: -152.758
Base-Backbone interact. energy: -1.342
local terms energy: -332.495595
where:
bonds (distance) C4'-P energy: -94.536
bonds (distance) P-C4' energy: -109.591
flat angles C4'-P-C4' energy: -90.704
flat angles P-C4'-P energy: -52.193
tors. eta vs tors. theta energy: 14.528
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: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1966.264267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.264267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.264267 (E_RNA)
where:
Base-Base interactions energy: -1294.705
where: short stacking energy: -620.380
Base-Backbone interact. energy: -3.384
local terms energy: -668.175113
where:
bonds (distance) C4'-P energy: -139.027
bonds (distance) P-C4' energy: -120.474
flat angles C4'-P-C4' energy: -146.407
flat angles P-C4'-P energy: -85.169
tors. eta vs tors. theta energy: -177.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1764.488257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.488257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.488257 (E_RNA)
where:
Base-Base interactions energy: -1111.724
where: short stacking energy: -544.439
Base-Backbone interact. energy: -2.822
local terms energy: -649.941894
where:
bonds (distance) C4'-P energy: -136.022
bonds (distance) P-C4' energy: -138.091
flat angles C4'-P-C4' energy: -138.765
flat angles P-C4'-P energy: -84.136
tors. eta vs tors. theta energy: -152.928
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: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1695.238337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.238337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.238337 (E_RNA)
where:
Base-Base interactions energy: -1061.055
where: short stacking energy: -532.937
Base-Backbone interact. energy: -2.326
local terms energy: -631.857774
where:
bonds (distance) C4'-P energy: -137.664
bonds (distance) P-C4' energy: -130.203
flat angles C4'-P-C4' energy: -145.791
flat angles P-C4'-P energy: -69.765
tors. eta vs tors. theta energy: -148.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1436.865552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.865552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.865552 (E_RNA)
where:
Base-Base interactions energy: -892.117
where: short stacking energy: -420.369
Base-Backbone interact. energy: -2.162
local terms energy: -542.587060
where:
bonds (distance) C4'-P energy: -124.627
bonds (distance) P-C4' energy: -128.061
flat angles C4'-P-C4' energy: -127.992
flat angles P-C4'-P energy: -76.542
tors. eta vs tors. theta energy: -85.365
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: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1473.079798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.079798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.079798 (E_RNA)
where:
Base-Base interactions energy: -973.037
where: short stacking energy: -480.138
Base-Backbone interact. energy: 2.515
local terms energy: -502.557604
where:
bonds (distance) C4'-P energy: -98.517
bonds (distance) P-C4' energy: -100.927
flat angles C4'-P-C4' energy: -122.514
flat angles P-C4'-P energy: -75.170
tors. eta vs tors. theta energy: -105.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1261.999561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.999561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.999561 (E_RNA)
where:
Base-Base interactions energy: -739.287
where: short stacking energy: -370.232
Base-Backbone interact. energy: -2.017
local terms energy: -520.695816
where:
bonds (distance) C4'-P energy: -106.707
bonds (distance) P-C4' energy: -123.599
flat angles C4'-P-C4' energy: -145.363
flat angles P-C4'-P energy: -71.191
tors. eta vs tors. theta energy: -73.836
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: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1090.925465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.925465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.925465 (E_RNA)
where:
Base-Base interactions energy: -601.706
where: short stacking energy: -285.037
Base-Backbone interact. energy: -0.407
local terms energy: -488.811778
where:
bonds (distance) C4'-P energy: -124.005
bonds (distance) P-C4' energy: -119.977
flat angles C4'-P-C4' energy: -107.743
flat angles P-C4'-P energy: -66.455
tors. eta vs tors. theta energy: -70.631
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: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -902.036405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.036405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.036405 (E_RNA)
where:
Base-Base interactions energy: -471.291
where: short stacking energy: -262.409
Base-Backbone interact. energy: -1.812
local terms energy: -428.932837
where:
bonds (distance) C4'-P energy: -93.694
bonds (distance) P-C4' energy: -118.759
flat angles C4'-P-C4' energy: -117.276
flat angles P-C4'-P energy: -64.911
tors. eta vs tors. theta energy: -34.293
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: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -751.063368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.063368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.063368 (E_RNA)
where:
Base-Base interactions energy: -366.142
where: short stacking energy: -200.273
Base-Backbone interact. energy: 0.590
local terms energy: -385.511534
where:
bonds (distance) C4'-P energy: -124.896
bonds (distance) P-C4' energy: -117.057
flat angles C4'-P-C4' energy: -87.671
flat angles P-C4'-P energy: -51.991
tors. eta vs tors. theta energy: -3.897
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: 32
Temperature: 1.350000
Total energy: -497.179502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.179502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.179502 (E_RNA)
where:
Base-Base interactions energy: -162.652
where: short stacking energy: -146.071
Base-Backbone interact. energy: 4.215
local terms energy: -338.742250
where:
bonds (distance) C4'-P energy: -99.076
bonds (distance) P-C4' energy: -127.510
flat angles C4'-P-C4' energy: -90.421
flat angles P-C4'-P energy: -35.345
tors. eta vs tors. theta energy: 13.609
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: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1991.450154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.450154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.450154 (E_RNA)
where:
Base-Base interactions energy: -1326.430
where: short stacking energy: -614.239
Base-Backbone interact. energy: -3.494
local terms energy: -661.526226
where:
bonds (distance) C4'-P energy: -127.565
bonds (distance) P-C4' energy: -123.081
flat angles C4'-P-C4' energy: -156.430
flat angles P-C4'-P energy: -85.411
tors. eta vs tors. theta energy: -169.039
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: 33
Temperature: 0.950000
Total energy: -1788.926940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.926940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.926940 (E_RNA)
where:
Base-Base interactions energy: -1140.006
where: short stacking energy: -573.337
Base-Backbone interact. energy: -3.316
local terms energy: -645.604903
where:
bonds (distance) C4'-P energy: -138.743
bonds (distance) P-C4' energy: -125.727
flat angles C4'-P-C4' energy: -139.318
flat angles P-C4'-P energy: -87.726
tors. eta vs tors. theta energy: -154.091
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: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1750.593599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.593599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.593599 (E_RNA)
where:
Base-Base interactions energy: -1096.375
where: short stacking energy: -572.280
Base-Backbone interact. energy: -2.634
local terms energy: -651.585337
where:
bonds (distance) C4'-P energy: -119.451
bonds (distance) P-C4' energy: -139.006
flat angles C4'-P-C4' energy: -146.336
flat angles P-C4'-P energy: -84.237
tors. eta vs tors. theta energy: -162.555
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: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1530.272354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.272354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.272354 (E_RNA)
where:
Base-Base interactions energy: -969.466
where: short stacking energy: -469.980
Base-Backbone interact. energy: -0.030
local terms energy: -560.776143
where:
bonds (distance) C4'-P energy: -114.135
bonds (distance) P-C4' energy: -102.147
flat angles C4'-P-C4' energy: -139.638
flat angles P-C4'-P energy: -85.506
tors. eta vs tors. theta energy: -119.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1438.747713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.747713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.747713 (E_RNA)
where:
Base-Base interactions energy: -902.287
where: short stacking energy: -435.083
Base-Backbone interact. energy: -1.971
local terms energy: -534.489701
where:
bonds (distance) C4'-P energy: -125.230
bonds (distance) P-C4' energy: -128.203
flat angles C4'-P-C4' energy: -131.996
flat angles P-C4'-P energy: -67.189
tors. eta vs tors. theta energy: -81.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1283.598496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.598496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.598496 (E_RNA)
where:
Base-Base interactions energy: -790.233
where: short stacking energy: -395.093
Base-Backbone interact. energy: 0.114
local terms energy: -493.479722
where:
bonds (distance) C4'-P energy: -113.705
bonds (distance) P-C4' energy: -116.786
flat angles C4'-P-C4' energy: -99.391
flat angles P-C4'-P energy: -75.708
tors. eta vs tors. theta energy: -87.888
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: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1091.160155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.160155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.160155 (E_RNA)
where:
Base-Base interactions energy: -625.571
where: short stacking energy: -315.082
Base-Backbone interact. energy: 1.755
local terms energy: -467.345135
where:
bonds (distance) C4'-P energy: -111.659
bonds (distance) P-C4' energy: -116.681
flat angles C4'-P-C4' energy: -115.165
flat angles P-C4'-P energy: -59.655
tors. eta vs tors. theta energy: -64.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -880.046005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.046005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.046005 (E_RNA)
where:
Base-Base interactions energy: -475.918
where: short stacking energy: -274.010
Base-Backbone interact. energy: 1.571
local terms energy: -405.699253
where:
bonds (distance) C4'-P energy: -113.203
bonds (distance) P-C4' energy: -106.894
flat angles C4'-P-C4' energy: -107.338
flat angles P-C4'-P energy: -48.956
tors. eta vs tors. theta energy: -29.309
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: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -748.975732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.975732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.975732 (E_RNA)
where:
Base-Base interactions energy: -377.425
where: short stacking energy: -221.100
Base-Backbone interact. energy: -2.307
local terms energy: -369.243065
where:
bonds (distance) C4'-P energy: -105.289
bonds (distance) P-C4' energy: -113.318
flat angles C4'-P-C4' energy: -74.972
flat angles P-C4'-P energy: -61.774
tors. eta vs tors. theta energy: -13.889
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: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -507.940062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.940062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.940062 (E_RNA)
where:
Base-Base interactions energy: -163.797
where: short stacking energy: -126.783
Base-Backbone interact. energy: -5.226
local terms energy: -338.917011
where:
bonds (distance) C4'-P energy: -106.975
bonds (distance) P-C4' energy: -106.270
flat angles C4'-P-C4' energy: -82.724
flat angles P-C4'-P energy: -49.836
tors. eta vs tors. theta energy: 6.888
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: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1990.547913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.547913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.547913 (E_RNA)
where:
Base-Base interactions energy: -1314.137
where: short stacking energy: -638.260
Base-Backbone interact. energy: -3.787
local terms energy: -672.623349
where:
bonds (distance) C4'-P energy: -141.649
bonds (distance) P-C4' energy: -121.239
flat angles C4'-P-C4' energy: -140.425
flat angles P-C4'-P energy: -88.490
tors. eta vs tors. theta energy: -180.820
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: 34
Temperature: 0.950000
Total energy: -1769.685980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.685980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.685980 (E_RNA)
where:
Base-Base interactions energy: -1122.796
where: short stacking energy: -549.789
Base-Backbone interact. energy: -2.344
local terms energy: -644.546828
where:
bonds (distance) C4'-P energy: -126.185
bonds (distance) P-C4' energy: -134.250
flat angles C4'-P-C4' energy: -138.945
flat angles P-C4'-P energy: -85.897
tors. eta vs tors. theta energy: -159.270
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: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1735.884957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.884957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.884957 (E_RNA)
where:
Base-Base interactions energy: -1109.394
where: short stacking energy: -548.278
Base-Backbone interact. energy: -3.200
local terms energy: -623.290168
where:
bonds (distance) C4'-P energy: -110.302
bonds (distance) P-C4' energy: -119.046
flat angles C4'-P-C4' energy: -152.204
flat angles P-C4'-P energy: -84.358
tors. eta vs tors. theta energy: -157.380
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: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1553.248181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.248181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.248181 (E_RNA)
where:
Base-Base interactions energy: -971.405
where: short stacking energy: -472.987
Base-Backbone interact. energy: -4.433
local terms energy: -577.410196
where:
bonds (distance) C4'-P energy: -104.559
bonds (distance) P-C4' energy: -140.395
flat angles C4'-P-C4' energy: -133.190
flat angles P-C4'-P energy: -88.947
tors. eta vs tors. theta energy: -110.319
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: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1470.801227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.801227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.801227 (E_RNA)
where:
Base-Base interactions energy: -914.436
where: short stacking energy: -403.659
Base-Backbone interact. energy: -1.684
local terms energy: -554.681679
where:
bonds (distance) C4'-P energy: -113.347
bonds (distance) P-C4' energy: -121.847
flat angles C4'-P-C4' energy: -138.575
flat angles P-C4'-P energy: -79.210
tors. eta vs tors. theta energy: -101.702
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: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1253.131465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.131465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.131465 (E_RNA)
where:
Base-Base interactions energy: -750.369
where: short stacking energy: -360.099
Base-Backbone interact. energy: -4.352
local terms energy: -498.410533
where:
bonds (distance) C4'-P energy: -120.581
bonds (distance) P-C4' energy: -132.608
flat angles C4'-P-C4' energy: -118.814
flat angles P-C4'-P energy: -61.159
tors. eta vs tors. theta energy: -65.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1129.013848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.013848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.013848 (E_RNA)
where:
Base-Base interactions energy: -642.382
where: short stacking energy: -338.400
Base-Backbone interact. energy: -0.178
local terms energy: -486.453780
where:
bonds (distance) C4'-P energy: -102.749
bonds (distance) P-C4' energy: -128.382
flat angles C4'-P-C4' energy: -119.295
flat angles P-C4'-P energy: -66.197
tors. eta vs tors. theta energy: -69.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -867.999044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.999044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.999044 (E_RNA)
where:
Base-Base interactions energy: -440.284
where: short stacking energy: -250.497
Base-Backbone interact. energy: 3.831
local terms energy: -431.546112
where:
bonds (distance) C4'-P energy: -109.985
bonds (distance) P-C4' energy: -118.306
flat angles C4'-P-C4' energy: -117.097
flat angles P-C4'-P energy: -61.838
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -833.637038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.637038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.637038 (E_RNA)
where:
Base-Base interactions energy: -393.520
where: short stacking energy: -223.818
Base-Backbone interact. energy: 3.882
local terms energy: -443.998328
where:
bonds (distance) C4'-P energy: -110.241
bonds (distance) P-C4' energy: -120.151
flat angles C4'-P-C4' energy: -103.160
flat angles P-C4'-P energy: -80.331
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -523.320143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.320143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.320143 (E_RNA)
where:
Base-Base interactions energy: -160.614
where: short stacking energy: -138.763
Base-Backbone interact. energy: -0.955
local terms energy: -361.751901
where:
bonds (distance) C4'-P energy: -110.718
bonds (distance) P-C4' energy: -108.422
flat angles C4'-P-C4' energy: -91.752
flat angles P-C4'-P energy: -56.844
tors. eta vs tors. theta energy: 5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2031.074039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.074039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.074039 (E_RNA)
where:
Base-Base interactions energy: -1337.978
where: short stacking energy: -623.568
Base-Backbone interact. energy: -2.476
local terms energy: -690.619784
where:
bonds (distance) C4'-P energy: -134.942
bonds (distance) P-C4' energy: -136.639
flat angles C4'-P-C4' energy: -157.058
flat angles P-C4'-P energy: -94.140
tors. eta vs tors. theta energy: -167.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1809.895978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.895978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.895978 (E_RNA)
where:
Base-Base interactions energy: -1170.303
where: short stacking energy: -545.522
Base-Backbone interact. energy: -1.061
local terms energy: -638.532143
where:
bonds (distance) C4'-P energy: -138.476
bonds (distance) P-C4' energy: -119.757
flat angles C4'-P-C4' energy: -138.987
flat angles P-C4'-P energy: -95.752
tors. eta vs tors. theta energy: -145.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1728.451796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.451796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.451796 (E_RNA)
where:
Base-Base interactions energy: -1107.599
where: short stacking energy: -528.596
Base-Backbone interact. energy: 1.052
local terms energy: -621.904833
where:
bonds (distance) C4'-P energy: -128.638
bonds (distance) P-C4' energy: -134.781
flat angles C4'-P-C4' energy: -139.832
flat angles P-C4'-P energy: -89.877
tors. eta vs tors. theta energy: -128.776
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: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1514.503095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.503095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.503095 (E_RNA)
where:
Base-Base interactions energy: -949.045
where: short stacking energy: -455.254
Base-Backbone interact. energy: -1.014
local terms energy: -564.443455
where:
bonds (distance) C4'-P energy: -118.598
bonds (distance) P-C4' energy: -118.962
flat angles C4'-P-C4' energy: -132.739
flat angles P-C4'-P energy: -84.853
tors. eta vs tors. theta energy: -109.291
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: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1438.977398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.977398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.977398 (E_RNA)
where:
Base-Base interactions energy: -925.011
where: short stacking energy: -410.088
Base-Backbone interact. energy: 4.111
local terms energy: -518.077891
where:
bonds (distance) C4'-P energy: -124.988
bonds (distance) P-C4' energy: -114.551
flat angles C4'-P-C4' energy: -128.470
flat angles P-C4'-P energy: -66.561
tors. eta vs tors. theta energy: -83.508
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: 35
Temperature: 1.150000
Total energy: -1251.244232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.244232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.244232 (E_RNA)
where:
Base-Base interactions energy: -739.346
where: short stacking energy: -381.672
Base-Backbone interact. energy: -2.593
local terms energy: -509.305753
where:
bonds (distance) C4'-P energy: -121.612
bonds (distance) P-C4' energy: -132.472
flat angles C4'-P-C4' energy: -119.336
flat angles P-C4'-P energy: -71.576
tors. eta vs tors. theta energy: -64.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1151.076645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.076645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.076645 (E_RNA)
where:
Base-Base interactions energy: -675.272
where: short stacking energy: -331.168
Base-Backbone interact. energy: -1.826
local terms energy: -473.978747
where:
bonds (distance) C4'-P energy: -102.453
bonds (distance) P-C4' energy: -121.354
flat angles C4'-P-C4' energy: -118.158
flat angles P-C4'-P energy: -68.160
tors. eta vs tors. theta energy: -63.854
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: 35
Temperature: 1.250000
Total energy: -847.881680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.881680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.881680 (E_RNA)
where:
Base-Base interactions energy: -453.933
where: short stacking energy: -243.762
Base-Backbone interact. energy: -2.312
local terms energy: -391.635953
where:
bonds (distance) C4'-P energy: -106.002
bonds (distance) P-C4' energy: -122.467
flat angles C4'-P-C4' energy: -94.122
flat angles P-C4'-P energy: -46.505
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: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -800.078486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.078486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.078486 (E_RNA)
where:
Base-Base interactions energy: -412.556
where: short stacking energy: -209.230
Base-Backbone interact. energy: 0.700
local terms energy: -388.222007
where:
bonds (distance) C4'-P energy: -110.757
bonds (distance) P-C4' energy: -121.629
flat angles C4'-P-C4' energy: -94.139
flat angles P-C4'-P energy: -58.198
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: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -511.145021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.145021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.145021 (E_RNA)
where:
Base-Base interactions energy: -198.569
where: short stacking energy: -165.799
Base-Backbone interact. energy: 1.521
local terms energy: -314.096947
where:
bonds (distance) C4'-P energy: -81.270
bonds (distance) P-C4' energy: -105.375
flat angles C4'-P-C4' energy: -104.266
flat angles P-C4'-P energy: -51.352
tors. eta vs tors. theta energy: 28.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2018.089397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.089397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.089397 (E_RNA)
where:
Base-Base interactions energy: -1341.243
where: short stacking energy: -650.936
Base-Backbone interact. energy: -3.857
local terms energy: -672.989664
where:
bonds (distance) C4'-P energy: -124.939
bonds (distance) P-C4' energy: -141.061
flat angles C4'-P-C4' energy: -146.803
flat angles P-C4'-P energy: -80.968
tors. eta vs tors. theta energy: -179.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1801.956377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.956377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.956377 (E_RNA)
where:
Base-Base interactions energy: -1156.863
where: short stacking energy: -526.308
Base-Backbone interact. energy: 1.523
local terms energy: -646.616868
where:
bonds (distance) C4'-P energy: -128.263
bonds (distance) P-C4' energy: -132.411
flat angles C4'-P-C4' energy: -143.507
flat angles P-C4'-P energy: -95.935
tors. eta vs tors. theta energy: -146.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1723.268865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.268865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.268865 (E_RNA)
where:
Base-Base interactions energy: -1128.457
where: short stacking energy: -549.371
Base-Backbone interact. energy: 3.897
local terms energy: -598.708738
where:
bonds (distance) C4'-P energy: -109.877
bonds (distance) P-C4' energy: -112.727
flat angles C4'-P-C4' energy: -130.781
flat angles P-C4'-P energy: -98.030
tors. eta vs tors. theta energy: -147.294
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: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1513.679340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.679340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.679340 (E_RNA)
where:
Base-Base interactions energy: -962.500
where: short stacking energy: -432.595
Base-Backbone interact. energy: -1.070
local terms energy: -550.108931
where:
bonds (distance) C4'-P energy: -115.983
bonds (distance) P-C4' energy: -123.782
flat angles C4'-P-C4' energy: -131.344
flat angles P-C4'-P energy: -68.068
tors. eta vs tors. theta energy: -110.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1451.521311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.521311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.521311 (E_RNA)
where:
Base-Base interactions energy: -944.551
where: short stacking energy: -466.572
Base-Backbone interact. energy: -1.498
local terms energy: -505.471844
where:
bonds (distance) C4'-P energy: -100.806
bonds (distance) P-C4' energy: -105.999
flat angles C4'-P-C4' energy: -125.484
flat angles P-C4'-P energy: -66.469
tors. eta vs tors. theta energy: -106.715
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: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1323.654802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.654802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.654802 (E_RNA)
where:
Base-Base interactions energy: -799.501
where: short stacking energy: -394.888
Base-Backbone interact. energy: 1.023
local terms energy: -525.176839
where:
bonds (distance) C4'-P energy: -118.755
bonds (distance) P-C4' energy: -111.385
flat angles C4'-P-C4' energy: -136.555
flat angles P-C4'-P energy: -77.616
tors. eta vs tors. theta energy: -80.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1136.091184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.091184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.091184 (E_RNA)
where:
Base-Base interactions energy: -683.272
where: short stacking energy: -335.495
Base-Backbone interact. energy: -2.142
local terms energy: -450.676788
where:
bonds (distance) C4'-P energy: -93.715
bonds (distance) P-C4' energy: -121.974
flat angles C4'-P-C4' energy: -119.821
flat angles P-C4'-P energy: -58.082
tors. eta vs tors. theta energy: -57.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -849.861001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.861001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.861001 (E_RNA)
where:
Base-Base interactions energy: -422.008
where: short stacking energy: -228.579
Base-Backbone interact. energy: 0.910
local terms energy: -428.762755
where:
bonds (distance) C4'-P energy: -118.916
bonds (distance) P-C4' energy: -118.346
flat angles C4'-P-C4' energy: -114.980
flat angles P-C4'-P energy: -55.865
tors. eta vs tors. theta energy: -20.656
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: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -782.017868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.017868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.017868 (E_RNA)
where:
Base-Base interactions energy: -430.791
where: short stacking energy: -236.840
Base-Backbone interact. energy: 1.083
local terms energy: -352.310081
where:
bonds (distance) C4'-P energy: -103.395
bonds (distance) P-C4' energy: -102.456
flat angles C4'-P-C4' energy: -89.246
flat angles P-C4'-P energy: -46.656
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -513.089417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.089417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.089417 (E_RNA)
where:
Base-Base interactions energy: -200.332
where: short stacking energy: -161.441
Base-Backbone interact. energy: 5.170
local terms energy: -317.927893
where:
bonds (distance) C4'-P energy: -92.503
bonds (distance) P-C4' energy: -104.522
flat angles C4'-P-C4' energy: -92.872
flat angles P-C4'-P energy: -37.133
tors. eta vs tors. theta energy: 9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2003.359607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.359607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.359607 (E_RNA)
where:
Base-Base interactions energy: -1313.711
where: short stacking energy: -639.987
Base-Backbone interact. energy: -4.835
local terms energy: -684.813615
where:
bonds (distance) C4'-P energy: -129.817
bonds (distance) P-C4' energy: -118.852
flat angles C4'-P-C4' energy: -148.844
flat angles P-C4'-P energy: -110.984
tors. eta vs tors. theta energy: -176.316
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: 37
Temperature: 0.950000
Total energy: -1819.872346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.872346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.872346 (E_RNA)
where:
Base-Base interactions energy: -1158.858
where: short stacking energy: -565.802
Base-Backbone interact. energy: -2.777
local terms energy: -658.237334
where:
bonds (distance) C4'-P energy: -130.189
bonds (distance) P-C4' energy: -133.307
flat angles C4'-P-C4' energy: -148.106
flat angles P-C4'-P energy: -86.840
tors. eta vs tors. theta energy: -159.796
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: 3, replica: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1774.292936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.292936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.292936 (E_RNA)
where:
Base-Base interactions energy: -1132.050
where: short stacking energy: -533.176
Base-Backbone interact. energy: -2.746
local terms energy: -639.497125
where:
bonds (distance) C4'-P energy: -119.179
bonds (distance) P-C4' energy: -124.135
flat angles C4'-P-C4' energy: -146.329
flat angles P-C4'-P energy: -98.796
tors. eta vs tors. theta energy: -151.059
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: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1568.159637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.159637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.159637 (E_RNA)
where:
Base-Base interactions energy: -989.255
where: short stacking energy: -482.583
Base-Backbone interact. energy: 0.150
local terms energy: -579.054702
where:
bonds (distance) C4'-P energy: -111.528
bonds (distance) P-C4' energy: -129.367
flat angles C4'-P-C4' energy: -128.868
flat angles P-C4'-P energy: -83.003
tors. eta vs tors. theta energy: -126.289
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: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1431.714469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.714469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.714469 (E_RNA)
where:
Base-Base interactions energy: -921.464
where: short stacking energy: -422.832
Base-Backbone interact. energy: 0.363
local terms energy: -510.613978
where:
bonds (distance) C4'-P energy: -111.481
bonds (distance) P-C4' energy: -106.047
flat angles C4'-P-C4' energy: -132.659
flat angles P-C4'-P energy: -85.176
tors. eta vs tors. theta energy: -75.250
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: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1328.599551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.599551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.599551 (E_RNA)
where:
Base-Base interactions energy: -820.100
where: short stacking energy: -415.055
Base-Backbone interact. energy: -2.572
local terms energy: -505.928222
where:
bonds (distance) C4'-P energy: -119.038
bonds (distance) P-C4' energy: -103.825
flat angles C4'-P-C4' energy: -116.972
flat angles P-C4'-P energy: -62.596
tors. eta vs tors. theta energy: -103.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1091.821040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.821040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.821040 (E_RNA)
where:
Base-Base interactions energy: -617.668
where: short stacking energy: -306.196
Base-Backbone interact. energy: 1.141
local terms energy: -475.293982
where:
bonds (distance) C4'-P energy: -121.207
bonds (distance) P-C4' energy: -120.309
flat angles C4'-P-C4' energy: -116.656
flat angles P-C4'-P energy: -63.367
tors. eta vs tors. theta energy: -53.755
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: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -849.269775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.269775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.269775 (E_RNA)
where:
Base-Base interactions energy: -464.559
where: short stacking energy: -254.500
Base-Backbone interact. energy: 0.325
local terms energy: -385.035482
where:
bonds (distance) C4'-P energy: -103.671
bonds (distance) P-C4' energy: -117.270
flat angles C4'-P-C4' energy: -91.501
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -27.784
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: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -837.345883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.345883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.345883 (E_RNA)
where:
Base-Base interactions energy: -457.802
where: short stacking energy: -248.495
Base-Backbone interact. energy: -1.608
local terms energy: -377.936308
where:
bonds (distance) C4'-P energy: -98.447
bonds (distance) P-C4' energy: -112.785
flat angles C4'-P-C4' energy: -93.384
flat angles P-C4'-P energy: -56.643
tors. eta vs tors. theta energy: -16.677
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: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -506.325919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.325919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.325919 (E_RNA)
where:
Base-Base interactions energy: -169.820
where: short stacking energy: -151.429
Base-Backbone interact. energy: -2.586
local terms energy: -333.919972
where:
bonds (distance) C4'-P energy: -117.486
bonds (distance) P-C4' energy: -116.710
flat angles C4'-P-C4' energy: -89.423
flat angles P-C4'-P energy: -36.948
tors. eta vs tors. theta energy: 26.647
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: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2033.501883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.501883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.501883 (E_RNA)
where:
Base-Base interactions energy: -1361.823
where: short stacking energy: -636.578
Base-Backbone interact. energy: 0.011
local terms energy: -671.690002
where:
bonds (distance) C4'-P energy: -132.895
bonds (distance) P-C4' energy: -121.608
flat angles C4'-P-C4' energy: -135.838
flat angles P-C4'-P energy: -101.802
tors. eta vs tors. theta energy: -179.547
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: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1781.435808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.435808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.435808 (E_RNA)
where:
Base-Base interactions energy: -1154.648
where: short stacking energy: -537.447
Base-Backbone interact. energy: 1.391
local terms energy: -628.178313
where:
bonds (distance) C4'-P energy: -127.848
bonds (distance) P-C4' energy: -128.547
flat angles C4'-P-C4' energy: -141.440
flat angles P-C4'-P energy: -82.355
tors. eta vs tors. theta energy: -147.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1744.375110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.375110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.375110 (E_RNA)
where:
Base-Base interactions energy: -1107.447
where: short stacking energy: -523.473
Base-Backbone interact. energy: -2.230
local terms energy: -634.697745
where:
bonds (distance) C4'-P energy: -120.326
bonds (distance) P-C4' energy: -125.747
flat angles C4'-P-C4' energy: -148.156
flat angles P-C4'-P energy: -93.700
tors. eta vs tors. theta energy: -146.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1602.387176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.387176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.387176 (E_RNA)
where:
Base-Base interactions energy: -1034.480
where: short stacking energy: -503.171
Base-Backbone interact. energy: -4.806
local terms energy: -563.101035
where:
bonds (distance) C4'-P energy: -94.753
bonds (distance) P-C4' energy: -112.427
flat angles C4'-P-C4' energy: -132.909
flat angles P-C4'-P energy: -81.539
tors. eta vs tors. theta energy: -141.473
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: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1343.471713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.471713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.471713 (E_RNA)
where:
Base-Base interactions energy: -822.006
where: short stacking energy: -384.559
Base-Backbone interact. energy: -3.160
local terms energy: -518.306027
where:
bonds (distance) C4'-P energy: -113.629
bonds (distance) P-C4' energy: -135.659
flat angles C4'-P-C4' energy: -127.008
flat angles P-C4'-P energy: -70.147
tors. eta vs tors. theta energy: -71.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1366.501290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.501290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.501290 (E_RNA)
where:
Base-Base interactions energy: -819.171
where: short stacking energy: -407.952
Base-Backbone interact. energy: -2.899
local terms energy: -544.431127
where:
bonds (distance) C4'-P energy: -125.094
bonds (distance) P-C4' energy: -117.876
flat angles C4'-P-C4' energy: -124.727
flat angles P-C4'-P energy: -81.099
tors. eta vs tors. theta energy: -95.636
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: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1173.585103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.585103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.585103 (E_RNA)
where:
Base-Base interactions energy: -722.178
where: short stacking energy: -340.392
Base-Backbone interact. energy: 0.421
local terms energy: -451.828037
where:
bonds (distance) C4'-P energy: -117.957
bonds (distance) P-C4' energy: -125.973
flat angles C4'-P-C4' energy: -98.389
flat angles P-C4'-P energy: -56.827
tors. eta vs tors. theta energy: -52.682
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: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -903.959085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.959085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.959085 (E_RNA)
where:
Base-Base interactions energy: -483.524
where: short stacking energy: -265.383
Base-Backbone interact. energy: 4.503
local terms energy: -424.937813
where:
bonds (distance) C4'-P energy: -115.364
bonds (distance) P-C4' energy: -95.198
flat angles C4'-P-C4' energy: -113.063
flat angles P-C4'-P energy: -66.268
tors. eta vs tors. theta energy: -35.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -917.009583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.009583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.009583 (E_RNA)
where:
Base-Base interactions energy: -505.839
where: short stacking energy: -255.462
Base-Backbone interact. energy: -0.942
local terms energy: -410.228707
where:
bonds (distance) C4'-P energy: -109.360
bonds (distance) P-C4' energy: -117.769
flat angles C4'-P-C4' energy: -107.257
flat angles P-C4'-P energy: -52.233
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -512.508333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.508333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.508333 (E_RNA)
where:
Base-Base interactions energy: -172.523
where: short stacking energy: -137.880
Base-Backbone interact. energy: -0.295
local terms energy: -339.689518
where:
bonds (distance) C4'-P energy: -96.337
bonds (distance) P-C4' energy: -109.999
flat angles C4'-P-C4' energy: -86.929
flat angles P-C4'-P energy: -56.190
tors. eta vs tors. theta energy: 9.765
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: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2057.426623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.426623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.426623 (E_RNA)
where:
Base-Base interactions energy: -1365.865
where: short stacking energy: -628.069
Base-Backbone interact. energy: -3.924
local terms energy: -687.636996
where:
bonds (distance) C4'-P energy: -132.215
bonds (distance) P-C4' energy: -133.701
flat angles C4'-P-C4' energy: -152.451
flat angles P-C4'-P energy: -96.662
tors. eta vs tors. theta energy: -172.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1817.867149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.867149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.867149 (E_RNA)
where:
Base-Base interactions energy: -1173.133
where: short stacking energy: -566.181
Base-Backbone interact. energy: -0.080
local terms energy: -644.654473
where:
bonds (distance) C4'-P energy: -128.296
bonds (distance) P-C4' energy: -129.451
flat angles C4'-P-C4' energy: -152.147
flat angles P-C4'-P energy: -92.254
tors. eta vs tors. theta energy: -142.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1746.420041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.420041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.420041 (E_RNA)
where:
Base-Base interactions energy: -1104.103
where: short stacking energy: -533.805
Base-Backbone interact. energy: 1.071
local terms energy: -643.388058
where:
bonds (distance) C4'-P energy: -139.847
bonds (distance) P-C4' energy: -126.639
flat angles C4'-P-C4' energy: -130.621
flat angles P-C4'-P energy: -93.321
tors. eta vs tors. theta energy: -152.960
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: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1630.986922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.986922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.986922 (E_RNA)
where:
Base-Base interactions energy: -1032.265
where: short stacking energy: -483.359
Base-Backbone interact. energy: 0.861
local terms energy: -599.582504
where:
bonds (distance) C4'-P energy: -115.828
bonds (distance) P-C4' energy: -134.199
flat angles C4'-P-C4' energy: -151.509
flat angles P-C4'-P energy: -82.215
tors. eta vs tors. theta energy: -115.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1388.265087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.265087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.265087 (E_RNA)
where:
Base-Base interactions energy: -846.701
where: short stacking energy: -397.544
Base-Backbone interact. energy: -2.085
local terms energy: -539.478636
where:
bonds (distance) C4'-P energy: -112.223
bonds (distance) P-C4' energy: -115.101
flat angles C4'-P-C4' energy: -133.813
flat angles P-C4'-P energy: -76.001
tors. eta vs tors. theta energy: -102.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1340.044330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.044330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.044330 (E_RNA)
where:
Base-Base interactions energy: -811.919
where: short stacking energy: -402.457
Base-Backbone interact. energy: -2.780
local terms energy: -525.344826
where:
bonds (distance) C4'-P energy: -118.034
bonds (distance) P-C4' energy: -135.175
flat angles C4'-P-C4' energy: -113.512
flat angles P-C4'-P energy: -71.319
tors. eta vs tors. theta energy: -87.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1158.675090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.675090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.675090 (E_RNA)
where:
Base-Base interactions energy: -705.469
where: short stacking energy: -355.665
Base-Backbone interact. energy: 2.521
local terms energy: -455.727157
where:
bonds (distance) C4'-P energy: -100.912
bonds (distance) P-C4' energy: -118.302
flat angles C4'-P-C4' energy: -116.151
flat angles P-C4'-P energy: -68.030
tors. eta vs tors. theta energy: -52.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -962.242737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.242737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.242737 (E_RNA)
where:
Base-Base interactions energy: -560.780
where: short stacking energy: -259.108
Base-Backbone interact. energy: 0.779
local terms energy: -402.241656
where:
bonds (distance) C4'-P energy: -114.061
bonds (distance) P-C4' energy: -111.747
flat angles C4'-P-C4' energy: -100.464
flat angles P-C4'-P energy: -49.132
tors. eta vs tors. theta energy: -26.837
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: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -866.167822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.167822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.167822 (E_RNA)
where:
Base-Base interactions energy: -467.323
where: short stacking energy: -240.895
Base-Backbone interact. energy: -1.778
local terms energy: -397.066232
where:
bonds (distance) C4'-P energy: -104.640
bonds (distance) P-C4' energy: -117.413
flat angles C4'-P-C4' energy: -106.936
flat angles P-C4'-P energy: -59.705
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -508.180973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.180973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.180973 (E_RNA)
where:
Base-Base interactions energy: -205.553
where: short stacking energy: -129.579
Base-Backbone interact. energy: 0.502
local terms energy: -303.130529
where:
bonds (distance) C4'-P energy: -89.349
bonds (distance) P-C4' energy: -97.878
flat angles C4'-P-C4' energy: -95.221
flat angles P-C4'-P energy: -54.057
tors. eta vs tors. theta energy: 33.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2063.898376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.898376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.898376 (E_RNA)
where:
Base-Base interactions energy: -1370.274
where: short stacking energy: -664.861
Base-Backbone interact. energy: -2.164
local terms energy: -691.460994
where:
bonds (distance) C4'-P energy: -128.793
bonds (distance) P-C4' energy: -124.230
flat angles C4'-P-C4' energy: -146.560
flat angles P-C4'-P energy: -105.935
tors. eta vs tors. theta energy: -185.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1850.146325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.146325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.146325 (E_RNA)
where:
Base-Base interactions energy: -1204.197
where: short stacking energy: -591.291
Base-Backbone interact. energy: -3.121
local terms energy: -642.827867
where:
bonds (distance) C4'-P energy: -121.957
bonds (distance) P-C4' energy: -128.491
flat angles C4'-P-C4' energy: -143.668
flat angles P-C4'-P energy: -88.607
tors. eta vs tors. theta energy: -160.106
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: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1775.213975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.213975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.213975 (E_RNA)
where:
Base-Base interactions energy: -1140.367
where: short stacking energy: -536.392
Base-Backbone interact. energy: -3.091
local terms energy: -631.756736
where:
bonds (distance) C4'-P energy: -136.637
bonds (distance) P-C4' energy: -116.604
flat angles C4'-P-C4' energy: -138.742
flat angles P-C4'-P energy: -84.215
tors. eta vs tors. theta energy: -155.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1619.578850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.578850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.578850 (E_RNA)
where:
Base-Base interactions energy: -1033.674
where: short stacking energy: -499.974
Base-Backbone interact. energy: -0.611
local terms energy: -585.293972
where:
bonds (distance) C4'-P energy: -121.943
bonds (distance) P-C4' energy: -119.988
flat angles C4'-P-C4' energy: -129.483
flat angles P-C4'-P energy: -75.637
tors. eta vs tors. theta energy: -138.242
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: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1390.627583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.627583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.627583 (E_RNA)
where:
Base-Base interactions energy: -850.510
where: short stacking energy: -400.167
Base-Backbone interact. energy: -1.536
local terms energy: -538.581860
where:
bonds (distance) C4'-P energy: -114.842
bonds (distance) P-C4' energy: -130.749
flat angles C4'-P-C4' energy: -126.416
flat angles P-C4'-P energy: -80.730
tors. eta vs tors. theta energy: -85.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1312.017873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.017873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.017873 (E_RNA)
where:
Base-Base interactions energy: -797.596
where: short stacking energy: -393.965
Base-Backbone interact. energy: 0.474
local terms energy: -514.895762
where:
bonds (distance) C4'-P energy: -106.033
bonds (distance) P-C4' energy: -129.548
flat angles C4'-P-C4' energy: -127.246
flat angles P-C4'-P energy: -73.012
tors. eta vs tors. theta energy: -79.057
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: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1109.568834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.568834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.568834 (E_RNA)
where:
Base-Base interactions energy: -664.871
where: short stacking energy: -332.093
Base-Backbone interact. energy: 4.015
local terms energy: -448.713410
where:
bonds (distance) C4'-P energy: -108.929
bonds (distance) P-C4' energy: -117.443
flat angles C4'-P-C4' energy: -97.549
flat angles P-C4'-P energy: -63.247
tors. eta vs tors. theta energy: -61.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1084.503598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.503598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.503598 (E_RNA)
where:
Base-Base interactions energy: -634.035
where: short stacking energy: -285.502
Base-Backbone interact. energy: -2.984
local terms energy: -447.483999
where:
bonds (distance) C4'-P energy: -95.880
bonds (distance) P-C4' energy: -135.543
flat angles C4'-P-C4' energy: -96.205
flat angles P-C4'-P energy: -63.031
tors. eta vs tors. theta energy: -56.824
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: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -875.951506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.951506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.951506 (E_RNA)
where:
Base-Base interactions energy: -470.187
where: short stacking energy: -230.723
Base-Backbone interact. energy: 4.011
local terms energy: -409.775160
where:
bonds (distance) C4'-P energy: -109.628
bonds (distance) P-C4' energy: -108.141
flat angles C4'-P-C4' energy: -107.873
flat angles P-C4'-P energy: -67.234
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -509.591986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.591986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.591986 (E_RNA)
where:
Base-Base interactions energy: -212.173
where: short stacking energy: -183.074
Base-Backbone interact. energy: 5.710
local terms energy: -303.128863
where:
bonds (distance) C4'-P energy: -99.710
bonds (distance) P-C4' energy: -112.616
flat angles C4'-P-C4' energy: -51.121
flat angles P-C4'-P energy: -51.866
tors. eta vs tors. theta energy: 12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2055.079992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.079992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.079992 (E_RNA)
where:
Base-Base interactions energy: -1345.017
where: short stacking energy: -610.476
Base-Backbone interact. energy: -2.838
local terms energy: -707.224842
where:
bonds (distance) C4'-P energy: -136.829
bonds (distance) P-C4' energy: -141.574
flat angles C4'-P-C4' energy: -155.337
flat angles P-C4'-P energy: -93.540
tors. eta vs tors. theta energy: -179.945
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: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1867.183673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.183673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.183673 (E_RNA)
where:
Base-Base interactions energy: -1161.170
where: short stacking energy: -573.183
Base-Backbone interact. energy: -0.388
local terms energy: -705.625247
where:
bonds (distance) C4'-P energy: -137.137
bonds (distance) P-C4' energy: -133.886
flat angles C4'-P-C4' energy: -155.883
flat angles P-C4'-P energy: -103.151
tors. eta vs tors. theta energy: -175.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1791.811916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.811916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.811916 (E_RNA)
where:
Base-Base interactions energy: -1148.180
where: short stacking energy: -565.725
Base-Backbone interact. energy: -2.968
local terms energy: -640.663872
where:
bonds (distance) C4'-P energy: -126.805
bonds (distance) P-C4' energy: -138.567
flat angles C4'-P-C4' energy: -137.968
flat angles P-C4'-P energy: -79.516
tors. eta vs tors. theta energy: -157.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1602.005661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.005661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.005661 (E_RNA)
where:
Base-Base interactions energy: -1007.460
where: short stacking energy: -468.902
Base-Backbone interact. energy: -0.400
local terms energy: -594.146199
where:
bonds (distance) C4'-P energy: -115.355
bonds (distance) P-C4' energy: -121.869
flat angles C4'-P-C4' energy: -142.023
flat angles P-C4'-P energy: -89.423
tors. eta vs tors. theta energy: -125.477
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: 41
Temperature: 1.100000
Total energy: -1353.995812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.995812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.995812 (E_RNA)
where:
Base-Base interactions energy: -814.717
where: short stacking energy: -385.522
Base-Backbone interact. energy: 0.300
local terms energy: -539.578802
where:
bonds (distance) C4'-P energy: -123.558
bonds (distance) P-C4' energy: -129.026
flat angles C4'-P-C4' energy: -128.248
flat angles P-C4'-P energy: -68.163
tors. eta vs tors. theta energy: -90.582
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: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1328.793095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.793095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.793095 (E_RNA)
where:
Base-Base interactions energy: -828.778
where: short stacking energy: -382.935
Base-Backbone interact. energy: 3.531
local terms energy: -503.545998
where:
bonds (distance) C4'-P energy: -105.464
bonds (distance) P-C4' energy: -112.489
flat angles C4'-P-C4' energy: -123.291
flat angles P-C4'-P energy: -75.679
tors. eta vs tors. theta energy: -86.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1119.956708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.956708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.956708 (E_RNA)
where:
Base-Base interactions energy: -634.077
where: short stacking energy: -324.037
Base-Backbone interact. energy: -0.317
local terms energy: -485.563011
where:
bonds (distance) C4'-P energy: -128.598
bonds (distance) P-C4' energy: -124.225
flat angles C4'-P-C4' energy: -104.954
flat angles P-C4'-P energy: -73.554
tors. eta vs tors. theta energy: -54.233
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: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1047.912964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.912964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.912964 (E_RNA)
where:
Base-Base interactions energy: -601.843
where: short stacking energy: -296.001
Base-Backbone interact. energy: 0.113
local terms energy: -446.183275
where:
bonds (distance) C4'-P energy: -122.583
bonds (distance) P-C4' energy: -111.925
flat angles C4'-P-C4' energy: -95.967
flat angles P-C4'-P energy: -64.749
tors. eta vs tors. theta energy: -50.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -861.298356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.298356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.298356 (E_RNA)
where:
Base-Base interactions energy: -457.552
where: short stacking energy: -254.686
Base-Backbone interact. energy: -1.431
local terms energy: -402.315065
where:
bonds (distance) C4'-P energy: -100.213
bonds (distance) P-C4' energy: -106.871
flat angles C4'-P-C4' energy: -105.739
flat angles P-C4'-P energy: -53.332
tors. eta vs tors. theta energy: -36.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -553.619008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.619008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.619008 (E_RNA)
where:
Base-Base interactions energy: -209.213
where: short stacking energy: -174.684
Base-Backbone interact. energy: 2.288
local terms energy: -346.693144
where:
bonds (distance) C4'-P energy: -89.620
bonds (distance) P-C4' energy: -120.880
flat angles C4'-P-C4' energy: -78.585
flat angles P-C4'-P energy: -59.512
tors. eta vs tors. theta energy: 1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2050.223916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.223916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.223916 (E_RNA)
where:
Base-Base interactions energy: -1366.636
where: short stacking energy: -637.000
Base-Backbone interact. energy: -2.589
local terms energy: -680.998894
where:
bonds (distance) C4'-P energy: -124.586
bonds (distance) P-C4' energy: -125.597
flat angles C4'-P-C4' energy: -149.827
flat angles P-C4'-P energy: -106.816
tors. eta vs tors. theta energy: -174.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1881.108377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.108377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.108377 (E_RNA)
where:
Base-Base interactions energy: -1218.129
where: short stacking energy: -591.068
Base-Backbone interact. energy: -0.202
local terms energy: -662.777126
where:
bonds (distance) C4'-P energy: -127.356
bonds (distance) P-C4' energy: -129.119
flat angles C4'-P-C4' energy: -141.403
flat angles P-C4'-P energy: -99.259
tors. eta vs tors. theta energy: -165.640
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: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1738.781849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.781849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.781849 (E_RNA)
where:
Base-Base interactions energy: -1106.344
where: short stacking energy: -527.920
Base-Backbone interact. energy: -0.429
local terms energy: -632.009259
where:
bonds (distance) C4'-P energy: -127.204
bonds (distance) P-C4' energy: -133.868
flat angles C4'-P-C4' energy: -144.643
flat angles P-C4'-P energy: -83.938
tors. eta vs tors. theta energy: -142.357
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: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1591.006828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.006828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.006828 (E_RNA)
where:
Base-Base interactions energy: -1026.200
where: short stacking energy: -469.634
Base-Backbone interact. energy: -2.036
local terms energy: -562.770802
where:
bonds (distance) C4'-P energy: -116.521
bonds (distance) P-C4' energy: -113.083
flat angles C4'-P-C4' energy: -131.393
flat angles P-C4'-P energy: -91.472
tors. eta vs tors. theta energy: -110.303
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: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1434.294803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.294803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.294803 (E_RNA)
where:
Base-Base interactions energy: -858.188
where: short stacking energy: -444.665
Base-Backbone interact. energy: -3.846
local terms energy: -572.261519
where:
bonds (distance) C4'-P energy: -126.689
bonds (distance) P-C4' energy: -121.466
flat angles C4'-P-C4' energy: -129.304
flat angles P-C4'-P energy: -93.408
tors. eta vs tors. theta energy: -101.395
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: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1304.478744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.478744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.478744 (E_RNA)
where:
Base-Base interactions energy: -802.269
where: short stacking energy: -353.744
Base-Backbone interact. energy: -1.910
local terms energy: -500.300177
where:
bonds (distance) C4'-P energy: -100.419
bonds (distance) P-C4' energy: -124.457
flat angles C4'-P-C4' energy: -119.589
flat angles P-C4'-P energy: -85.729
tors. eta vs tors. theta energy: -70.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1204.867167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.867167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.867167 (E_RNA)
where:
Base-Base interactions energy: -720.707
where: short stacking energy: -346.166
Base-Backbone interact. energy: -1.989
local terms energy: -482.171015
where:
bonds (distance) C4'-P energy: -116.347
bonds (distance) P-C4' energy: -126.946
flat angles C4'-P-C4' energy: -119.212
flat angles P-C4'-P energy: -65.316
tors. eta vs tors. theta energy: -54.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1021.549565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.549565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.549565 (E_RNA)
where:
Base-Base interactions energy: -591.003
where: short stacking energy: -288.240
Base-Backbone interact. energy: -4.077
local terms energy: -426.469691
where:
bonds (distance) C4'-P energy: -110.271
bonds (distance) P-C4' energy: -112.503
flat angles C4'-P-C4' energy: -94.582
flat angles P-C4'-P energy: -63.937
tors. eta vs tors. theta energy: -45.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -863.853872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.853872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.853872 (E_RNA)
where:
Base-Base interactions energy: -474.259
where: short stacking energy: -247.080
Base-Backbone interact. energy: -0.104
local terms energy: -389.491001
where:
bonds (distance) C4'-P energy: -102.255
bonds (distance) P-C4' energy: -112.617
flat angles C4'-P-C4' energy: -97.742
flat angles P-C4'-P energy: -59.217
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -620.626939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.626939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.626939 (E_RNA)
where:
Base-Base interactions energy: -253.782
where: short stacking energy: -192.011
Base-Backbone interact. energy: -1.495
local terms energy: -365.350501
where:
bonds (distance) C4'-P energy: -101.131
bonds (distance) P-C4' energy: -102.559
flat angles C4'-P-C4' energy: -101.885
flat angles P-C4'-P energy: -55.452
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2065.622439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.622439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.622439 (E_RNA)
where:
Base-Base interactions energy: -1361.636
where: short stacking energy: -637.455
Base-Backbone interact. energy: -2.191
local terms energy: -701.795818
where:
bonds (distance) C4'-P energy: -123.426
bonds (distance) P-C4' energy: -130.968
flat angles C4'-P-C4' energy: -143.671
flat angles P-C4'-P energy: -103.889
tors. eta vs tors. theta energy: -199.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1881.032802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.032802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.032802 (E_RNA)
where:
Base-Base interactions energy: -1204.585
where: short stacking energy: -599.780
Base-Backbone interact. energy: -3.145
local terms energy: -673.302145
where:
bonds (distance) C4'-P energy: -138.434
bonds (distance) P-C4' energy: -139.797
flat angles C4'-P-C4' energy: -157.894
flat angles P-C4'-P energy: -72.812
tors. eta vs tors. theta energy: -164.365
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: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1794.286683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.286683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.286683 (E_RNA)
where:
Base-Base interactions energy: -1151.181
where: short stacking energy: -543.298
Base-Backbone interact. energy: 1.090
local terms energy: -644.195371
where:
bonds (distance) C4'-P energy: -131.155
bonds (distance) P-C4' energy: -134.225
flat angles C4'-P-C4' energy: -128.083
flat angles P-C4'-P energy: -89.372
tors. eta vs tors. theta energy: -161.360
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: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1616.645359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.645359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.645359 (E_RNA)
where:
Base-Base interactions energy: -1055.211
where: short stacking energy: -462.945
Base-Backbone interact. energy: -1.922
local terms energy: -559.512716
where:
bonds (distance) C4'-P energy: -130.955
bonds (distance) P-C4' energy: -125.601
flat angles C4'-P-C4' energy: -116.342
flat angles P-C4'-P energy: -72.599
tors. eta vs tors. theta energy: -114.016
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: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1459.369689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.369689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.369689 (E_RNA)
where:
Base-Base interactions energy: -922.023
where: short stacking energy: -436.727
Base-Backbone interact. energy: 1.218
local terms energy: -538.564718
where:
bonds (distance) C4'-P energy: -120.451
bonds (distance) P-C4' energy: -111.320
flat angles C4'-P-C4' energy: -115.164
flat angles P-C4'-P energy: -85.669
tors. eta vs tors. theta energy: -105.961
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: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1281.932108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.932108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.932108 (E_RNA)
where:
Base-Base interactions energy: -744.248
where: short stacking energy: -364.062
Base-Backbone interact. energy: -0.447
local terms energy: -537.236640
where:
bonds (distance) C4'-P energy: -113.146
bonds (distance) P-C4' energy: -140.078
flat angles C4'-P-C4' energy: -130.997
flat angles P-C4'-P energy: -81.504
tors. eta vs tors. theta energy: -71.511
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: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1208.405127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.405127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.405127 (E_RNA)
where:
Base-Base interactions energy: -735.578
where: short stacking energy: -343.027
Base-Backbone interact. energy: -1.238
local terms energy: -471.589933
where:
bonds (distance) C4'-P energy: -118.960
bonds (distance) P-C4' energy: -131.184
flat angles C4'-P-C4' energy: -115.357
flat angles P-C4'-P energy: -47.221
tors. eta vs tors. theta energy: -58.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1045.690841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.690841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.690841 (E_RNA)
where:
Base-Base interactions energy: -574.769
where: short stacking energy: -275.892
Base-Backbone interact. energy: 1.321
local terms energy: -472.242922
where:
bonds (distance) C4'-P energy: -121.884
bonds (distance) P-C4' energy: -137.380
flat angles C4'-P-C4' energy: -86.211
flat angles P-C4'-P energy: -84.359
tors. eta vs tors. theta energy: -42.409
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: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -851.836280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.836280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.836280 (E_RNA)
where:
Base-Base interactions energy: -460.075
where: short stacking energy: -234.609
Base-Backbone interact. energy: 0.320
local terms energy: -392.080732
where:
bonds (distance) C4'-P energy: -85.493
bonds (distance) P-C4' energy: -126.074
flat angles C4'-P-C4' energy: -102.802
flat angles P-C4'-P energy: -54.428
tors. eta vs tors. theta energy: -23.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -628.026154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.026154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.026154 (E_RNA)
where:
Base-Base interactions energy: -284.333
where: short stacking energy: -188.726
Base-Backbone interact. energy: 0.414
local terms energy: -344.107984
where:
bonds (distance) C4'-P energy: -94.511
bonds (distance) P-C4' energy: -101.203
flat angles C4'-P-C4' energy: -102.417
flat angles P-C4'-P energy: -55.920
tors. eta vs tors. theta energy: 9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2072.941315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.941315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.941315 (E_RNA)
where:
Base-Base interactions energy: -1376.042
where: short stacking energy: -642.171
Base-Backbone interact. energy: -1.984
local terms energy: -694.914990
where:
bonds (distance) C4'-P energy: -127.435
bonds (distance) P-C4' energy: -140.931
flat angles C4'-P-C4' energy: -146.996
flat angles P-C4'-P energy: -97.489
tors. eta vs tors. theta energy: -182.064
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: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1874.714709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.714709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.714709 (E_RNA)
where:
Base-Base interactions energy: -1194.096
where: short stacking energy: -570.701
Base-Backbone interact. energy: -2.262
local terms energy: -678.357201
where:
bonds (distance) C4'-P energy: -136.155
bonds (distance) P-C4' energy: -137.998
flat angles C4'-P-C4' energy: -143.551
flat angles P-C4'-P energy: -90.473
tors. eta vs tors. theta energy: -170.180
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: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1795.394469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.394469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.394469 (E_RNA)
where:
Base-Base interactions energy: -1145.360
where: short stacking energy: -558.468
Base-Backbone interact. energy: -1.011
local terms energy: -649.022928
where:
bonds (distance) C4'-P energy: -119.649
bonds (distance) P-C4' energy: -132.771
flat angles C4'-P-C4' energy: -141.108
flat angles P-C4'-P energy: -90.861
tors. eta vs tors. theta energy: -164.633
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: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1726.166890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.166890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.166890 (E_RNA)
where:
Base-Base interactions energy: -1120.395
where: short stacking energy: -506.090
Base-Backbone interact. energy: -0.483
local terms energy: -605.289396
where:
bonds (distance) C4'-P energy: -120.918
bonds (distance) P-C4' energy: -123.994
flat angles C4'-P-C4' energy: -129.391
flat angles P-C4'-P energy: -91.151
tors. eta vs tors. theta energy: -139.834
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: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1517.367423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.367423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.367423 (E_RNA)
where:
Base-Base interactions energy: -952.151
where: short stacking energy: -444.927
Base-Backbone interact. energy: -0.093
local terms energy: -565.123135
where:
bonds (distance) C4'-P energy: -116.335
bonds (distance) P-C4' energy: -114.135
flat angles C4'-P-C4' energy: -144.321
flat angles P-C4'-P energy: -74.090
tors. eta vs tors. theta energy: -116.242
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: 44
Temperature: 1.150000
Total energy: -1308.419841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.419841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.419841 (E_RNA)
where:
Base-Base interactions energy: -825.419
where: short stacking energy: -374.144
Base-Backbone interact. energy: 0.509
local terms energy: -483.509625
where:
bonds (distance) C4'-P energy: -120.920
bonds (distance) P-C4' energy: -110.925
flat angles C4'-P-C4' energy: -122.392
flat angles P-C4'-P energy: -51.927
tors. eta vs tors. theta energy: -77.346
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: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1147.111539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.111539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.111539 (E_RNA)
where:
Base-Base interactions energy: -672.437
where: short stacking energy: -351.187
Base-Backbone interact. energy: 0.601
local terms energy: -475.275783
where:
bonds (distance) C4'-P energy: -127.852
bonds (distance) P-C4' energy: -119.412
flat angles C4'-P-C4' energy: -122.772
flat angles P-C4'-P energy: -51.920
tors. eta vs tors. theta energy: -53.320
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: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1067.157422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.157422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.157422 (E_RNA)
where:
Base-Base interactions energy: -620.551
where: short stacking energy: -294.427
Base-Backbone interact. energy: -2.020
local terms energy: -444.586995
where:
bonds (distance) C4'-P energy: -103.018
bonds (distance) P-C4' energy: -123.757
flat angles C4'-P-C4' energy: -104.969
flat angles P-C4'-P energy: -76.217
tors. eta vs tors. theta energy: -36.626
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -652.437861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.437861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.437861 (E_RNA)
where:
Base-Base interactions energy: -288.214
where: short stacking energy: -190.452
Base-Backbone interact. energy: -2.867
local terms energy: -361.357091
where:
bonds (distance) C4'-P energy: -109.292
bonds (distance) P-C4' energy: -96.067
flat angles C4'-P-C4' energy: -100.546
flat angles P-C4'-P energy: -58.616
tors. eta vs tors. theta energy: 3.165
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: 44
Temperature: 1.350000
Total energy: -755.788133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.788133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.788133 (E_RNA)
where:
Base-Base interactions energy: -396.018
where: short stacking energy: -181.310
Base-Backbone interact. energy: 6.192
local terms energy: -365.961921
where:
bonds (distance) C4'-P energy: -104.653
bonds (distance) P-C4' energy: -118.415
flat angles C4'-P-C4' energy: -92.797
flat angles P-C4'-P energy: -57.368
tors. eta vs tors. theta energy: 7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2021.848668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.848668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.848668 (E_RNA)
where:
Base-Base interactions energy: -1345.178
where: short stacking energy: -636.145
Base-Backbone interact. energy: -1.412
local terms energy: -675.258044
where:
bonds (distance) C4'-P energy: -127.847
bonds (distance) P-C4' energy: -132.841
flat angles C4'-P-C4' energy: -145.770
flat angles P-C4'-P energy: -90.405
tors. eta vs tors. theta energy: -178.395
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: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1899.075342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.075342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.075342 (E_RNA)
where:
Base-Base interactions energy: -1234.119
where: short stacking energy: -610.758
Base-Backbone interact. energy: -2.417
local terms energy: -662.539418
where:
bonds (distance) C4'-P energy: -133.499
bonds (distance) P-C4' energy: -130.800
flat angles C4'-P-C4' energy: -133.670
flat angles P-C4'-P energy: -87.587
tors. eta vs tors. theta energy: -176.984
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: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1762.639849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.639849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.639849 (E_RNA)
where:
Base-Base interactions energy: -1127.697
where: short stacking energy: -567.249
Base-Backbone interact. energy: -2.457
local terms energy: -632.485824
where:
bonds (distance) C4'-P energy: -113.262
bonds (distance) P-C4' energy: -123.223
flat angles C4'-P-C4' energy: -132.786
flat angles P-C4'-P energy: -97.601
tors. eta vs tors. theta energy: -165.614
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: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1716.316205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.316205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.316205 (E_RNA)
where:
Base-Base interactions energy: -1134.695
where: short stacking energy: -520.480
Base-Backbone interact. energy: 2.115
local terms energy: -583.735897
where:
bonds (distance) C4'-P energy: -117.999
bonds (distance) P-C4' energy: -116.320
flat angles C4'-P-C4' energy: -131.215
flat angles P-C4'-P energy: -84.288
tors. eta vs tors. theta energy: -133.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1529.821987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.821987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.821987 (E_RNA)
where:
Base-Base interactions energy: -952.430
where: short stacking energy: -424.805
Base-Backbone interact. energy: -1.616
local terms energy: -575.776471
where:
bonds (distance) C4'-P energy: -120.557
bonds (distance) P-C4' energy: -139.775
flat angles C4'-P-C4' energy: -138.135
flat angles P-C4'-P energy: -83.511
tors. eta vs tors. theta energy: -93.799
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: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1280.818175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.818175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.818175 (E_RNA)
where:
Base-Base interactions energy: -785.271
where: short stacking energy: -393.092
Base-Backbone interact. energy: -2.831
local terms energy: -492.716705
where:
bonds (distance) C4'-P energy: -122.795
bonds (distance) P-C4' energy: -123.771
flat angles C4'-P-C4' energy: -112.271
flat angles P-C4'-P energy: -63.212
tors. eta vs tors. theta energy: -70.668
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: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1189.294368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.294368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.294368 (E_RNA)
where:
Base-Base interactions energy: -723.876
where: short stacking energy: -345.495
Base-Backbone interact. energy: 2.308
local terms energy: -467.725679
where:
bonds (distance) C4'-P energy: -106.484
bonds (distance) P-C4' energy: -108.151
flat angles C4'-P-C4' energy: -121.246
flat angles P-C4'-P energy: -70.654
tors. eta vs tors. theta energy: -61.191
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: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1031.094798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.094798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.094798 (E_RNA)
where:
Base-Base interactions energy: -565.657
where: short stacking energy: -293.161
Base-Backbone interact. energy: -2.832
local terms energy: -462.605981
where:
bonds (distance) C4'-P energy: -115.128
bonds (distance) P-C4' energy: -132.617
flat angles C4'-P-C4' energy: -101.831
flat angles P-C4'-P energy: -66.014
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: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -724.657261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.657261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.657261 (E_RNA)
where:
Base-Base interactions energy: -366.883
where: short stacking energy: -216.967
Base-Backbone interact. energy: -0.989
local terms energy: -356.785659
where:
bonds (distance) C4'-P energy: -88.529
bonds (distance) P-C4' energy: -111.644
flat angles C4'-P-C4' energy: -94.128
flat angles P-C4'-P energy: -62.390
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: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -746.315111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.315111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.315111 (E_RNA)
where:
Base-Base interactions energy: -375.133
where: short stacking energy: -202.978
Base-Backbone interact. energy: -0.594
local terms energy: -370.588307
where:
bonds (distance) C4'-P energy: -112.582
bonds (distance) P-C4' energy: -99.363
flat angles C4'-P-C4' energy: -92.407
flat angles P-C4'-P energy: -59.130
tors. eta vs tors. theta energy: -7.106
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: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2045.448125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.448125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.448125 (E_RNA)
where:
Base-Base interactions energy: -1350.477
where: short stacking energy: -640.735
Base-Backbone interact. energy: -1.900
local terms energy: -693.071428
where:
bonds (distance) C4'-P energy: -149.263
bonds (distance) P-C4' energy: -126.558
flat angles C4'-P-C4' energy: -146.695
flat angles P-C4'-P energy: -96.286
tors. eta vs tors. theta energy: -174.269
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: 46
Temperature: 0.950000
Total energy: -1864.615200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.615200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.615200 (E_RNA)
where:
Base-Base interactions energy: -1214.906
where: short stacking energy: -581.626
Base-Backbone interact. energy: -3.027
local terms energy: -646.681813
where:
bonds (distance) C4'-P energy: -126.612
bonds (distance) P-C4' energy: -129.485
flat angles C4'-P-C4' energy: -137.217
flat angles P-C4'-P energy: -83.418
tors. eta vs tors. theta energy: -169.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1832.447960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.447960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.447960 (E_RNA)
where:
Base-Base interactions energy: -1181.582
where: short stacking energy: -581.876
Base-Backbone interact. energy: 1.430
local terms energy: -652.295500
where:
bonds (distance) C4'-P energy: -116.381
bonds (distance) P-C4' energy: -125.463
flat angles C4'-P-C4' energy: -144.167
flat angles P-C4'-P energy: -99.480
tors. eta vs tors. theta energy: -166.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1748.132870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.132870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.132870 (E_RNA)
where:
Base-Base interactions energy: -1149.099
where: short stacking energy: -519.449
Base-Backbone interact. energy: 0.745
local terms energy: -599.778384
where:
bonds (distance) C4'-P energy: -116.411
bonds (distance) P-C4' energy: -125.787
flat angles C4'-P-C4' energy: -140.893
flat angles P-C4'-P energy: -88.191
tors. eta vs tors. theta energy: -128.496
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: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1510.373047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.373047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.373047 (E_RNA)
where:
Base-Base interactions energy: -956.748
where: short stacking energy: -457.699
Base-Backbone interact. energy: -2.742
local terms energy: -550.883416
where:
bonds (distance) C4'-P energy: -113.866
bonds (distance) P-C4' energy: -124.689
flat angles C4'-P-C4' energy: -117.142
flat angles P-C4'-P energy: -78.888
tors. eta vs tors. theta energy: -116.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1226.652536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.652536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.652536 (E_RNA)
where:
Base-Base interactions energy: -745.379
where: short stacking energy: -368.596
Base-Backbone interact. energy: -1.508
local terms energy: -479.765577
where:
bonds (distance) C4'-P energy: -110.052
bonds (distance) P-C4' energy: -101.775
flat angles C4'-P-C4' energy: -131.104
flat angles P-C4'-P energy: -66.726
tors. eta vs tors. theta energy: -70.109
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: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1192.936552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.936552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.936552 (E_RNA)
where:
Base-Base interactions energy: -718.956
where: short stacking energy: -353.747
Base-Backbone interact. energy: 6.605
local terms energy: -480.585332
where:
bonds (distance) C4'-P energy: -118.354
bonds (distance) P-C4' energy: -108.347
flat angles C4'-P-C4' energy: -119.786
flat angles P-C4'-P energy: -72.977
tors. eta vs tors. theta energy: -61.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1008.025815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.025815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.025815 (E_RNA)
where:
Base-Base interactions energy: -587.802
where: short stacking energy: -281.005
Base-Backbone interact. energy: -1.852
local terms energy: -418.372252
where:
bonds (distance) C4'-P energy: -111.708
bonds (distance) P-C4' energy: -109.307
flat angles C4'-P-C4' energy: -105.599
flat angles P-C4'-P energy: -55.040
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: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -798.219075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.219075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.219075 (E_RNA)
where:
Base-Base interactions energy: -420.542
where: short stacking energy: -241.387
Base-Backbone interact. energy: 3.627
local terms energy: -381.303823
where:
bonds (distance) C4'-P energy: -102.152
bonds (distance) P-C4' energy: -122.236
flat angles C4'-P-C4' energy: -101.293
flat angles P-C4'-P energy: -60.803
tors. eta vs tors. theta energy: 5.179
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: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -710.818518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.818518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.818518 (E_RNA)
where:
Base-Base interactions energy: -365.159
where: short stacking energy: -203.260
Base-Backbone interact. energy: 1.870
local terms energy: -347.528996
where:
bonds (distance) C4'-P energy: -114.748
bonds (distance) P-C4' energy: -114.550
flat angles C4'-P-C4' energy: -71.740
flat angles P-C4'-P energy: -49.381
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: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2066.909606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.909606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.909606 (E_RNA)
where:
Base-Base interactions energy: -1357.702
where: short stacking energy: -627.329
Base-Backbone interact. energy: -6.285
local terms energy: -702.923300
where:
bonds (distance) C4'-P energy: -134.142
bonds (distance) P-C4' energy: -131.577
flat angles C4'-P-C4' energy: -149.206
flat angles P-C4'-P energy: -109.581
tors. eta vs tors. theta energy: -178.417
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: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1906.971686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.971686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.971686 (E_RNA)
where:
Base-Base interactions energy: -1247.510
where: short stacking energy: -602.233
Base-Backbone interact. energy: 0.817
local terms energy: -660.279189
where:
bonds (distance) C4'-P energy: -131.925
bonds (distance) P-C4' energy: -135.857
flat angles C4'-P-C4' energy: -134.341
flat angles P-C4'-P energy: -93.719
tors. eta vs tors. theta energy: -164.438
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: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1751.766200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.766200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.766200 (E_RNA)
where:
Base-Base interactions energy: -1109.706
where: short stacking energy: -543.422
Base-Backbone interact. energy: -0.875
local terms energy: -641.184910
where:
bonds (distance) C4'-P energy: -138.540
bonds (distance) P-C4' energy: -121.848
flat angles C4'-P-C4' energy: -131.786
flat angles P-C4'-P energy: -87.218
tors. eta vs tors. theta energy: -161.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1763.153716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.153716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.153716 (E_RNA)
where:
Base-Base interactions energy: -1170.866
where: short stacking energy: -532.171
Base-Backbone interact. energy: -1.365
local terms energy: -590.922671
where:
bonds (distance) C4'-P energy: -123.621
bonds (distance) P-C4' energy: -111.802
flat angles C4'-P-C4' energy: -130.518
flat angles P-C4'-P energy: -87.489
tors. eta vs tors. theta energy: -137.493
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: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1606.038397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.038397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.038397 (E_RNA)
where:
Base-Base interactions energy: -1052.422
where: short stacking energy: -480.177
Base-Backbone interact. energy: -3.605
local terms energy: -550.011758
where:
bonds (distance) C4'-P energy: -95.237
bonds (distance) P-C4' energy: -134.380
flat angles C4'-P-C4' energy: -117.157
flat angles P-C4'-P energy: -87.293
tors. eta vs tors. theta energy: -115.944
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: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1250.540256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.540256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.540256 (E_RNA)
where:
Base-Base interactions energy: -724.346
where: short stacking energy: -370.084
Base-Backbone interact. energy: -3.382
local terms energy: -522.812177
where:
bonds (distance) C4'-P energy: -112.080
bonds (distance) P-C4' energy: -113.769
flat angles C4'-P-C4' energy: -122.542
flat angles P-C4'-P energy: -85.683
tors. eta vs tors. theta energy: -88.738
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: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1200.871258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.871258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.871258 (E_RNA)
where:
Base-Base interactions energy: -730.019
where: short stacking energy: -333.629
Base-Backbone interact. energy: -1.636
local terms energy: -469.216717
where:
bonds (distance) C4'-P energy: -121.850
bonds (distance) P-C4' energy: -117.065
flat angles C4'-P-C4' energy: -118.439
flat angles P-C4'-P energy: -63.671
tors. eta vs tors. theta energy: -48.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1035.814982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.814982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.814982 (E_RNA)
where:
Base-Base interactions energy: -628.167
where: short stacking energy: -317.339
Base-Backbone interact. energy: 2.882
local terms energy: -410.530254
where:
bonds (distance) C4'-P energy: -115.588
bonds (distance) P-C4' energy: -92.074
flat angles C4'-P-C4' energy: -103.702
flat angles P-C4'-P energy: -48.013
tors. eta vs tors. theta energy: -51.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -797.316196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.316196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.316196 (E_RNA)
where:
Base-Base interactions energy: -389.058
where: short stacking energy: -237.646
Base-Backbone interact. energy: 6.410
local terms energy: -414.668076
where:
bonds (distance) C4'-P energy: -99.577
bonds (distance) P-C4' energy: -127.216
flat angles C4'-P-C4' energy: -111.796
flat angles P-C4'-P energy: -57.703
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -654.706445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.706445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.706445 (E_RNA)
where:
Base-Base interactions energy: -276.301
where: short stacking energy: -175.896
Base-Backbone interact. energy: 4.202
local terms energy: -382.607063
where:
bonds (distance) C4'-P energy: -129.346
bonds (distance) P-C4' energy: -104.642
flat angles C4'-P-C4' energy: -91.033
flat angles P-C4'-P energy: -49.581
tors. eta vs tors. theta energy: -8.006
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: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2092.557588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.557588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.557588 (E_RNA)
where:
Base-Base interactions energy: -1378.812
where: short stacking energy: -658.594
Base-Backbone interact. energy: -1.044
local terms energy: -712.701814
where:
bonds (distance) C4'-P energy: -130.451
bonds (distance) P-C4' energy: -151.852
flat angles C4'-P-C4' energy: -146.585
flat angles P-C4'-P energy: -93.488
tors. eta vs tors. theta energy: -190.326
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: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1928.208580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.208580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.208580 (E_RNA)
where:
Base-Base interactions energy: -1293.007
where: short stacking energy: -602.358
Base-Backbone interact. energy: 3.583
local terms energy: -638.784865
where:
bonds (distance) C4'-P energy: -118.370
bonds (distance) P-C4' energy: -123.366
flat angles C4'-P-C4' energy: -138.937
flat angles P-C4'-P energy: -86.543
tors. eta vs tors. theta energy: -171.569
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: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1818.280938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.280938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.280938 (E_RNA)
where:
Base-Base interactions energy: -1210.416
where: short stacking energy: -543.340
Base-Backbone interact. energy: -2.618
local terms energy: -605.246897
where:
bonds (distance) C4'-P energy: -112.781
bonds (distance) P-C4' energy: -120.001
flat angles C4'-P-C4' energy: -144.951
flat angles P-C4'-P energy: -81.411
tors. eta vs tors. theta energy: -146.103
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: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1658.955685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.955685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.955685 (E_RNA)
where:
Base-Base interactions energy: -1039.856
where: short stacking energy: -504.425
Base-Backbone interact. energy: -5.264
local terms energy: -613.835828
where:
bonds (distance) C4'-P energy: -132.572
bonds (distance) P-C4' energy: -124.792
flat angles C4'-P-C4' energy: -132.382
flat angles P-C4'-P energy: -89.876
tors. eta vs tors. theta energy: -134.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1630.108787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.108787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.108787 (E_RNA)
where:
Base-Base interactions energy: -1036.835
where: short stacking energy: -484.760
Base-Backbone interact. energy: 1.347
local terms energy: -594.620333
where:
bonds (distance) C4'-P energy: -130.762
bonds (distance) P-C4' energy: -132.259
flat angles C4'-P-C4' energy: -131.786
flat angles P-C4'-P energy: -69.289
tors. eta vs tors. theta energy: -130.525
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: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1229.663891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.663891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.663891 (E_RNA)
where:
Base-Base interactions energy: -730.422
where: short stacking energy: -390.907
Base-Backbone interact. energy: -0.017
local terms energy: -499.224721
where:
bonds (distance) C4'-P energy: -98.234
bonds (distance) P-C4' energy: -121.086
flat angles C4'-P-C4' energy: -114.764
flat angles P-C4'-P energy: -80.383
tors. eta vs tors. theta energy: -84.758
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: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1183.921879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.921879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.921879 (E_RNA)
where:
Base-Base interactions energy: -736.292
where: short stacking energy: -315.336
Base-Backbone interact. energy: 3.626
local terms energy: -451.256262
where:
bonds (distance) C4'-P energy: -118.798
bonds (distance) P-C4' energy: -114.953
flat angles C4'-P-C4' energy: -103.885
flat angles P-C4'-P energy: -67.860
tors. eta vs tors. theta energy: -45.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1010.762597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.762597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.762597 (E_RNA)
where:
Base-Base interactions energy: -572.121
where: short stacking energy: -334.195
Base-Backbone interact. energy: 2.412
local terms energy: -441.052917
where:
bonds (distance) C4'-P energy: -106.525
bonds (distance) P-C4' energy: -103.122
flat angles C4'-P-C4' energy: -116.355
flat angles P-C4'-P energy: -42.572
tors. eta vs tors. theta energy: -72.478
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: 48
Temperature: 1.300000
Total energy: -761.618427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.618427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.618427 (E_RNA)
where:
Base-Base interactions energy: -366.221
where: short stacking energy: -200.386
Base-Backbone interact. energy: 2.661
local terms energy: -398.058464
where:
bonds (distance) C4'-P energy: -111.692
bonds (distance) P-C4' energy: -128.486
flat angles C4'-P-C4' energy: -92.975
flat angles P-C4'-P energy: -63.010
tors. eta vs tors. theta energy: -1.896
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: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -671.531772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.531772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.531772 (E_RNA)
where:
Base-Base interactions energy: -312.801
where: short stacking energy: -195.577
Base-Backbone interact. energy: 1.481
local terms energy: -360.211565
where:
bonds (distance) C4'-P energy: -99.388
bonds (distance) P-C4' energy: -117.728
flat angles C4'-P-C4' energy: -76.383
flat angles P-C4'-P energy: -56.340
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2056.427624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.427624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.427624 (E_RNA)
where:
Base-Base interactions energy: -1378.605
where: short stacking energy: -652.231
Base-Backbone interact. energy: -6.415
local terms energy: -671.407248
where:
bonds (distance) C4'-P energy: -139.624
bonds (distance) P-C4' energy: -119.174
flat angles C4'-P-C4' energy: -147.306
flat angles P-C4'-P energy: -88.447
tors. eta vs tors. theta energy: -176.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1975.234671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.234671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.234671 (E_RNA)
where:
Base-Base interactions energy: -1296.907
where: short stacking energy: -591.309
Base-Backbone interact. energy: -4.826
local terms energy: -673.501270
where:
bonds (distance) C4'-P energy: -123.131
bonds (distance) P-C4' energy: -140.110
flat angles C4'-P-C4' energy: -136.681
flat angles P-C4'-P energy: -97.601
tors. eta vs tors. theta energy: -175.978
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: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1812.629978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.629978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.629978 (E_RNA)
where:
Base-Base interactions energy: -1197.007
where: short stacking energy: -531.160
Base-Backbone interact. energy: -3.199
local terms energy: -612.424338
where:
bonds (distance) C4'-P energy: -130.306
bonds (distance) P-C4' energy: -120.059
flat angles C4'-P-C4' energy: -129.333
flat angles P-C4'-P energy: -88.855
tors. eta vs tors. theta energy: -143.871
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: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1687.688914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.688914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.688914 (E_RNA)
where:
Base-Base interactions energy: -1074.962
where: short stacking energy: -478.156
Base-Backbone interact. energy: -1.018
local terms energy: -611.709201
where:
bonds (distance) C4'-P energy: -111.678
bonds (distance) P-C4' energy: -138.342
flat angles C4'-P-C4' energy: -134.873
flat angles P-C4'-P energy: -96.264
tors. eta vs tors. theta energy: -130.552
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: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1620.737473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.737473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.737473 (E_RNA)
where:
Base-Base interactions energy: -1048.721
where: short stacking energy: -497.503
Base-Backbone interact. energy: 4.882
local terms energy: -576.897829
where:
bonds (distance) C4'-P energy: -104.452
bonds (distance) P-C4' energy: -121.468
flat angles C4'-P-C4' energy: -128.682
flat angles P-C4'-P energy: -84.394
tors. eta vs tors. theta energy: -137.902
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: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1404.151191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.151191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.151191 (E_RNA)
where:
Base-Base interactions energy: -890.084
where: short stacking energy: -405.699
Base-Backbone interact. energy: -3.093
local terms energy: -510.974096
where:
bonds (distance) C4'-P energy: -103.074
bonds (distance) P-C4' energy: -120.763
flat angles C4'-P-C4' energy: -121.827
flat angles P-C4'-P energy: -79.285
tors. eta vs tors. theta energy: -86.026
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: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1203.709700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.709700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.709700 (E_RNA)
where:
Base-Base interactions energy: -790.378
where: short stacking energy: -378.090
Base-Backbone interact. energy: -1.885
local terms energy: -411.446608
where:
bonds (distance) C4'-P energy: -97.539
bonds (distance) P-C4' energy: -105.403
flat angles C4'-P-C4' energy: -107.619
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: -62.925
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: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -969.688717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.688717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.688717 (E_RNA)
where:
Base-Base interactions energy: -547.205
where: short stacking energy: -290.437
Base-Backbone interact. energy: 4.890
local terms energy: -427.374479
where:
bonds (distance) C4'-P energy: -120.130
bonds (distance) P-C4' energy: -101.702
flat angles C4'-P-C4' energy: -98.233
flat angles P-C4'-P energy: -74.113
tors. eta vs tors. theta energy: -33.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -883.964531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.964531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.964531 (E_RNA)
where:
Base-Base interactions energy: -479.703
where: short stacking energy: -255.272
Base-Backbone interact. energy: 2.998
local terms energy: -407.260160
where:
bonds (distance) C4'-P energy: -98.933
bonds (distance) P-C4' energy: -113.275
flat angles C4'-P-C4' energy: -94.754
flat angles P-C4'-P energy: -63.024
tors. eta vs tors. theta energy: -37.274
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: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -670.199001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.199001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.199001 (E_RNA)
where:
Base-Base interactions energy: -324.657
where: short stacking energy: -186.653
Base-Backbone interact. energy: 2.513
local terms energy: -348.055771
where:
bonds (distance) C4'-P energy: -96.378
bonds (distance) P-C4' energy: -96.692
flat angles C4'-P-C4' energy: -98.571
flat angles P-C4'-P energy: -64.601
tors. eta vs tors. theta energy: 8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2058.533584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.533584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.533584 (E_RNA)
where:
Base-Base interactions energy: -1380.051
where: short stacking energy: -674.851
Base-Backbone interact. energy: 1.971
local terms energy: -680.452926
where:
bonds (distance) C4'-P energy: -134.503
bonds (distance) P-C4' energy: -125.136
flat angles C4'-P-C4' energy: -142.929
flat angles P-C4'-P energy: -88.317
tors. eta vs tors. theta energy: -189.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1984.789274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.789274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.789274 (E_RNA)
where:
Base-Base interactions energy: -1301.948
where: short stacking energy: -617.871
Base-Backbone interact. energy: -1.254
local terms energy: -681.587102
where:
bonds (distance) C4'-P energy: -132.842
bonds (distance) P-C4' energy: -129.646
flat angles C4'-P-C4' energy: -158.323
flat angles P-C4'-P energy: -89.709
tors. eta vs tors. theta energy: -171.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1817.344378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.344378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.344378 (E_RNA)
where:
Base-Base interactions energy: -1201.138
where: short stacking energy: -522.733
Base-Backbone interact. energy: -1.105
local terms energy: -615.101612
where:
bonds (distance) C4'-P energy: -122.717
bonds (distance) P-C4' energy: -121.826
flat angles C4'-P-C4' energy: -143.815
flat angles P-C4'-P energy: -72.627
tors. eta vs tors. theta energy: -154.117
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: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1746.011123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.011123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.011123 (E_RNA)
where:
Base-Base interactions energy: -1146.853
where: short stacking energy: -509.857
Base-Backbone interact. energy: -0.319
local terms energy: -598.838357
where:
bonds (distance) C4'-P energy: -119.617
bonds (distance) P-C4' energy: -129.412
flat angles C4'-P-C4' energy: -122.687
flat angles P-C4'-P energy: -83.075
tors. eta vs tors. theta energy: -144.048
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: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1503.776594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.776594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.776594 (E_RNA)
where:
Base-Base interactions energy: -922.753
where: short stacking energy: -440.883
Base-Backbone interact. energy: -1.375
local terms energy: -579.648551
where:
bonds (distance) C4'-P energy: -102.909
bonds (distance) P-C4' energy: -137.781
flat angles C4'-P-C4' energy: -137.391
flat angles P-C4'-P energy: -78.923
tors. eta vs tors. theta energy: -122.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1432.903755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.903755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.903755 (E_RNA)
where:
Base-Base interactions energy: -883.847
where: short stacking energy: -419.130
Base-Backbone interact. energy: -2.902
local terms energy: -546.154689
where:
bonds (distance) C4'-P energy: -119.653
bonds (distance) P-C4' energy: -121.666
flat angles C4'-P-C4' energy: -128.374
flat angles P-C4'-P energy: -84.691
tors. eta vs tors. theta energy: -91.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1200.040768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.040768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.040768 (E_RNA)
where:
Base-Base interactions energy: -689.805
where: short stacking energy: -354.386
Base-Backbone interact. energy: 2.040
local terms energy: -512.275578
where:
bonds (distance) C4'-P energy: -106.395
bonds (distance) P-C4' energy: -124.768
flat angles C4'-P-C4' energy: -119.467
flat angles P-C4'-P energy: -91.287
tors. eta vs tors. theta energy: -70.359
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: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -985.004035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.004035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.004035 (E_RNA)
where:
Base-Base interactions energy: -543.260
where: short stacking energy: -301.348
Base-Backbone interact. energy: -2.492
local terms energy: -439.252058
where:
bonds (distance) C4'-P energy: -84.434
bonds (distance) P-C4' energy: -124.250
flat angles C4'-P-C4' energy: -100.878
flat angles P-C4'-P energy: -81.077
tors. eta vs tors. theta energy: -48.613
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: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -815.315035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.315035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.315035 (E_RNA)
where:
Base-Base interactions energy: -428.644
where: short stacking energy: -232.333
Base-Backbone interact. energy: 1.265
local terms energy: -387.936942
where:
bonds (distance) C4'-P energy: -109.904
bonds (distance) P-C4' energy: -96.241
flat angles C4'-P-C4' energy: -117.936
flat angles P-C4'-P energy: -59.339
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -641.206269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.206269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.206269 (E_RNA)
where:
Base-Base interactions energy: -325.943
where: short stacking energy: -174.122
Base-Backbone interact. energy: 0.693
local terms energy: -315.956479
where:
bonds (distance) C4'-P energy: -84.217
bonds (distance) P-C4' energy: -98.031
flat angles C4'-P-C4' energy: -113.233
flat angles P-C4'-P energy: -43.638
tors. eta vs tors. theta energy: 23.163
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: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2107.137064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.137064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.137064 (E_RNA)
where:
Base-Base interactions energy: -1401.905
where: short stacking energy: -655.309
Base-Backbone interact. energy: -3.736
local terms energy: -701.495904
where:
bonds (distance) C4'-P energy: -143.499
bonds (distance) P-C4' energy: -126.464
flat angles C4'-P-C4' energy: -153.615
flat angles P-C4'-P energy: -79.395
tors. eta vs tors. theta energy: -198.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1920.010391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.010391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.010391 (E_RNA)
where:
Base-Base interactions energy: -1295.048
where: short stacking energy: -589.229
Base-Backbone interact. energy: -3.006
local terms energy: -621.956767
where:
bonds (distance) C4'-P energy: -123.136
bonds (distance) P-C4' energy: -123.637
flat angles C4'-P-C4' energy: -130.063
flat angles P-C4'-P energy: -86.919
tors. eta vs tors. theta energy: -158.202
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: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1869.879754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.879754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.879754 (E_RNA)
where:
Base-Base interactions energy: -1236.855
where: short stacking energy: -577.904
Base-Backbone interact. energy: 11.451
local terms energy: -644.476166
where:
bonds (distance) C4'-P energy: -119.171
bonds (distance) P-C4' energy: -122.385
flat angles C4'-P-C4' energy: -142.961
flat angles P-C4'-P energy: -90.611
tors. eta vs tors. theta energy: -169.347
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: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1777.443668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.443668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.443668 (E_RNA)
where:
Base-Base interactions energy: -1158.151
where: short stacking energy: -515.248
Base-Backbone interact. energy: -2.154
local terms energy: -617.138370
where:
bonds (distance) C4'-P energy: -133.021
bonds (distance) P-C4' energy: -121.320
flat angles C4'-P-C4' energy: -139.851
flat angles P-C4'-P energy: -82.046
tors. eta vs tors. theta energy: -140.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1521.911327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.911327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.911327 (E_RNA)
where:
Base-Base interactions energy: -945.864
where: short stacking energy: -448.870
Base-Backbone interact. energy: -1.723
local terms energy: -574.324169
where:
bonds (distance) C4'-P energy: -112.921
bonds (distance) P-C4' energy: -123.570
flat angles C4'-P-C4' energy: -136.199
flat angles P-C4'-P energy: -86.315
tors. eta vs tors. theta energy: -115.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1443.154951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.154951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.154951 (E_RNA)
where:
Base-Base interactions energy: -917.710
where: short stacking energy: -414.558
Base-Backbone interact. energy: -3.835
local terms energy: -521.610350
where:
bonds (distance) C4'-P energy: -114.474
bonds (distance) P-C4' energy: -128.792
flat angles C4'-P-C4' energy: -134.028
flat angles P-C4'-P energy: -68.248
tors. eta vs tors. theta energy: -76.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1138.989057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.989057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.989057 (E_RNA)
where:
Base-Base interactions energy: -661.018
where: short stacking energy: -342.464
Base-Backbone interact. energy: -1.648
local terms energy: -476.322801
where:
bonds (distance) C4'-P energy: -120.355
bonds (distance) P-C4' energy: -100.539
flat angles C4'-P-C4' energy: -125.850
flat angles P-C4'-P energy: -73.706
tors. eta vs tors. theta energy: -55.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -905.770385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.770385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.770385 (E_RNA)
where:
Base-Base interactions energy: -506.388
where: short stacking energy: -254.617
Base-Backbone interact. energy: -1.491
local terms energy: -397.891869
where:
bonds (distance) C4'-P energy: -112.250
bonds (distance) P-C4' energy: -116.842
flat angles C4'-P-C4' energy: -81.382
flat angles P-C4'-P energy: -61.339
tors. eta vs tors. theta energy: -26.078
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: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -820.025528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.025528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.025528 (E_RNA)
where:
Base-Base interactions energy: -413.885
where: short stacking energy: -222.092
Base-Backbone interact. energy: -1.087
local terms energy: -405.054078
where:
bonds (distance) C4'-P energy: -92.580
bonds (distance) P-C4' energy: -125.325
flat angles C4'-P-C4' energy: -105.650
flat angles P-C4'-P energy: -72.888
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: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -615.472868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.472868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.472868 (E_RNA)
where:
Base-Base interactions energy: -296.757
where: short stacking energy: -195.183
Base-Backbone interact. energy: 5.355
local terms energy: -324.070992
where:
bonds (distance) C4'-P energy: -107.954
bonds (distance) P-C4' energy: -110.499
flat angles C4'-P-C4' energy: -74.722
flat angles P-C4'-P energy: -35.277
tors. eta vs tors. theta energy: 4.382
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: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2088.655339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.655339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.655339 (E_RNA)
where:
Base-Base interactions energy: -1384.426
where: short stacking energy: -648.186
Base-Backbone interact. energy: -7.137
local terms energy: -697.091683
where:
bonds (distance) C4'-P energy: -122.996
bonds (distance) P-C4' energy: -142.355
flat angles C4'-P-C4' energy: -150.782
flat angles P-C4'-P energy: -101.769
tors. eta vs tors. theta energy: -179.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1928.255649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.255649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.255649 (E_RNA)
where:
Base-Base interactions energy: -1282.020
where: short stacking energy: -556.470
Base-Backbone interact. energy: -2.384
local terms energy: -643.851999
where:
bonds (distance) C4'-P energy: -129.397
bonds (distance) P-C4' energy: -138.482
flat angles C4'-P-C4' energy: -148.363
flat angles P-C4'-P energy: -85.915
tors. eta vs tors. theta energy: -141.696
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1863.409216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.409216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.409216 (E_RNA)
where:
Base-Base interactions energy: -1236.030
where: short stacking energy: -546.807
Base-Backbone interact. energy: -0.347
local terms energy: -627.032116
where:
bonds (distance) C4'-P energy: -123.730
bonds (distance) P-C4' energy: -116.796
flat angles C4'-P-C4' energy: -131.849
flat angles P-C4'-P energy: -95.123
tors. eta vs tors. theta energy: -159.534
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: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1754.097831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.097831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.097831 (E_RNA)
where:
Base-Base interactions energy: -1144.764
where: short stacking energy: -515.751
Base-Backbone interact. energy: -1.249
local terms energy: -608.084984
where:
bonds (distance) C4'-P energy: -131.875
bonds (distance) P-C4' energy: -124.266
flat angles C4'-P-C4' energy: -133.919
flat angles P-C4'-P energy: -87.867
tors. eta vs tors. theta energy: -130.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1554.506943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.506943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.506943 (E_RNA)
where:
Base-Base interactions energy: -985.085
where: short stacking energy: -467.790
Base-Backbone interact. energy: -1.631
local terms energy: -567.790939
where:
bonds (distance) C4'-P energy: -119.443
bonds (distance) P-C4' energy: -112.160
flat angles C4'-P-C4' energy: -127.319
flat angles P-C4'-P energy: -90.256
tors. eta vs tors. theta energy: -118.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1476.287379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.287379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.287379 (E_RNA)
where:
Base-Base interactions energy: -940.452
where: short stacking energy: -434.558
Base-Backbone interact. energy: -4.097
local terms energy: -531.738552
where:
bonds (distance) C4'-P energy: -110.539
bonds (distance) P-C4' energy: -114.263
flat angles C4'-P-C4' energy: -130.030
flat angles P-C4'-P energy: -72.622
tors. eta vs tors. theta energy: -104.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1153.639083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.639083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.639083 (E_RNA)
where:
Base-Base interactions energy: -694.567
where: short stacking energy: -335.281
Base-Backbone interact. energy: -4.191
local terms energy: -454.880723
where:
bonds (distance) C4'-P energy: -119.052
bonds (distance) P-C4' energy: -100.449
flat angles C4'-P-C4' energy: -119.742
flat angles P-C4'-P energy: -65.787
tors. eta vs tors. theta energy: -49.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -884.343011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.343011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.343011 (E_RNA)
where:
Base-Base interactions energy: -461.458
where: short stacking energy: -252.239
Base-Backbone interact. energy: -0.557
local terms energy: -422.327671
where:
bonds (distance) C4'-P energy: -110.869
bonds (distance) P-C4' energy: -112.873
flat angles C4'-P-C4' energy: -92.712
flat angles P-C4'-P energy: -82.581
tors. eta vs tors. theta energy: -23.293
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: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -697.734795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.734795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.734795 (E_RNA)
where:
Base-Base interactions energy: -334.965
where: short stacking energy: -212.509
Base-Backbone interact. energy: 1.236
local terms energy: -364.005710
where:
bonds (distance) C4'-P energy: -116.277
bonds (distance) P-C4' energy: -117.004
flat angles C4'-P-C4' energy: -76.212
flat angles P-C4'-P energy: -67.385
tors. eta vs tors. theta energy: 12.872
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: 52
Temperature: 1.350000
Total energy: -798.123850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.123850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.123850 (E_RNA)
where:
Base-Base interactions energy: -433.723
where: short stacking energy: -234.923
Base-Backbone interact. energy: 6.991
local terms energy: -371.392221
where:
bonds (distance) C4'-P energy: -109.753
bonds (distance) P-C4' energy: -110.484
flat angles C4'-P-C4' energy: -85.062
flat angles P-C4'-P energy: -41.867
tors. eta vs tors. theta energy: -24.226
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: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2077.187456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.187456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.187456 (E_RNA)
where:
Base-Base interactions energy: -1373.829
where: short stacking energy: -626.029
Base-Backbone interact. energy: -5.548
local terms energy: -697.811085
where:
bonds (distance) C4'-P energy: -142.070
bonds (distance) P-C4' energy: -128.276
flat angles C4'-P-C4' energy: -151.060
flat angles P-C4'-P energy: -98.289
tors. eta vs tors. theta energy: -178.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1951.880050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.880050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.880050 (E_RNA)
where:
Base-Base interactions energy: -1296.025
where: short stacking energy: -604.992
Base-Backbone interact. energy: -1.590
local terms energy: -654.264816
where:
bonds (distance) C4'-P energy: -111.643
bonds (distance) P-C4' energy: -126.048
flat angles C4'-P-C4' energy: -147.053
flat angles P-C4'-P energy: -99.822
tors. eta vs tors. theta energy: -169.699
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: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1852.103783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.103783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.103783 (E_RNA)
where:
Base-Base interactions energy: -1216.868
where: short stacking energy: -586.882
Base-Backbone interact. energy: 2.428
local terms energy: -637.663095
where:
bonds (distance) C4'-P energy: -123.587
bonds (distance) P-C4' energy: -130.887
flat angles C4'-P-C4' energy: -126.254
flat angles P-C4'-P energy: -94.542
tors. eta vs tors. theta energy: -162.394
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: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1770.918618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.918618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.918618 (E_RNA)
where:
Base-Base interactions energy: -1163.247
where: short stacking energy: -512.304
Base-Backbone interact. energy: 0.045
local terms energy: -607.717041
where:
bonds (distance) C4'-P energy: -119.784
bonds (distance) P-C4' energy: -133.474
flat angles C4'-P-C4' energy: -124.792
flat angles P-C4'-P energy: -71.125
tors. eta vs tors. theta energy: -158.542
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: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1524.290818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.290818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.290818 (E_RNA)
where:
Base-Base interactions energy: -929.583
where: short stacking energy: -426.979
Base-Backbone interact. energy: -1.793
local terms energy: -592.914396
where:
bonds (distance) C4'-P energy: -127.270
bonds (distance) P-C4' energy: -136.145
flat angles C4'-P-C4' energy: -133.301
flat angles P-C4'-P energy: -84.057
tors. eta vs tors. theta energy: -112.142
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: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1518.496019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.496019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.496019 (E_RNA)
where:
Base-Base interactions energy: -987.275
where: short stacking energy: -442.955
Base-Backbone interact. energy: -1.534
local terms energy: -529.686036
where:
bonds (distance) C4'-P energy: -101.560
bonds (distance) P-C4' energy: -107.613
flat angles C4'-P-C4' energy: -139.062
flat angles P-C4'-P energy: -78.443
tors. eta vs tors. theta energy: -103.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1133.143315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.143315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.143315 (E_RNA)
where:
Base-Base interactions energy: -673.148
where: short stacking energy: -331.966
Base-Backbone interact. energy: -2.286
local terms energy: -457.709154
where:
bonds (distance) C4'-P energy: -100.349
bonds (distance) P-C4' energy: -114.825
flat angles C4'-P-C4' energy: -114.225
flat angles P-C4'-P energy: -78.348
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: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -883.599489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.599489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.599489 (E_RNA)
where:
Base-Base interactions energy: -470.396
where: short stacking energy: -248.228
Base-Backbone interact. energy: 2.423
local terms energy: -415.626689
where:
bonds (distance) C4'-P energy: -112.686
bonds (distance) P-C4' energy: -114.562
flat angles C4'-P-C4' energy: -112.264
flat angles P-C4'-P energy: -55.254
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -674.714993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.714993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.714993 (E_RNA)
where:
Base-Base interactions energy: -328.620
where: short stacking energy: -210.429
Base-Backbone interact. energy: 0.084
local terms energy: -346.178404
where:
bonds (distance) C4'-P energy: -90.150
bonds (distance) P-C4' energy: -83.216
flat angles C4'-P-C4' energy: -106.289
flat angles P-C4'-P energy: -67.916
tors. eta vs tors. theta energy: 1.392
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: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -746.233635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.233635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.233635 (E_RNA)
where:
Base-Base interactions energy: -398.474
where: short stacking energy: -208.955
Base-Backbone interact. energy: 6.845
local terms energy: -354.604991
where:
bonds (distance) C4'-P energy: -95.696
bonds (distance) P-C4' energy: -108.899
flat angles C4'-P-C4' energy: -97.961
flat angles P-C4'-P energy: -53.853
tors. eta vs tors. theta energy: 1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2075.321360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.321360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.321360 (E_RNA)
where:
Base-Base interactions energy: -1374.876
where: short stacking energy: -663.753
Base-Backbone interact. energy: -2.230
local terms energy: -698.215682
where:
bonds (distance) C4'-P energy: -130.436
bonds (distance) P-C4' energy: -134.829
flat angles C4'-P-C4' energy: -154.712
flat angles P-C4'-P energy: -88.635
tors. eta vs tors. theta energy: -189.603
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: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1955.355902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.355902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.355902 (E_RNA)
where:
Base-Base interactions energy: -1317.226
where: short stacking energy: -591.816
Base-Backbone interact. energy: -6.448
local terms energy: -631.681498
where:
bonds (distance) C4'-P energy: -115.846
bonds (distance) P-C4' energy: -141.068
flat angles C4'-P-C4' energy: -139.750
flat angles P-C4'-P energy: -93.197
tors. eta vs tors. theta energy: -141.819
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: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1888.372875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.372875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.372875 (E_RNA)
where:
Base-Base interactions energy: -1231.243
where: short stacking energy: -604.068
Base-Backbone interact. energy: -3.202
local terms energy: -653.928278
where:
bonds (distance) C4'-P energy: -119.998
bonds (distance) P-C4' energy: -128.514
flat angles C4'-P-C4' energy: -144.439
flat angles P-C4'-P energy: -92.783
tors. eta vs tors. theta energy: -168.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1724.723962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.723962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.723962 (E_RNA)
where:
Base-Base interactions energy: -1120.011
where: short stacking energy: -510.959
Base-Backbone interact. energy: -0.868
local terms energy: -603.844433
where:
bonds (distance) C4'-P energy: -110.672
bonds (distance) P-C4' energy: -122.160
flat angles C4'-P-C4' energy: -153.955
flat angles P-C4'-P energy: -78.957
tors. eta vs tors. theta energy: -138.102
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: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1535.114168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.114168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.114168 (E_RNA)
where:
Base-Base interactions energy: -972.669
where: short stacking energy: -462.576
Base-Backbone interact. energy: -2.157
local terms energy: -560.288647
where:
bonds (distance) C4'-P energy: -119.622
bonds (distance) P-C4' energy: -127.174
flat angles C4'-P-C4' energy: -126.393
flat angles P-C4'-P energy: -67.615
tors. eta vs tors. theta energy: -119.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1500.135533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.135533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.135533 (E_RNA)
where:
Base-Base interactions energy: -963.389
where: short stacking energy: -439.834
Base-Backbone interact. energy: -0.953
local terms energy: -535.792699
where:
bonds (distance) C4'-P energy: -101.848
bonds (distance) P-C4' energy: -110.480
flat angles C4'-P-C4' energy: -130.654
flat angles P-C4'-P energy: -82.787
tors. eta vs tors. theta energy: -110.024
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: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1106.064996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.064996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.064996 (E_RNA)
where:
Base-Base interactions energy: -677.875
where: short stacking energy: -329.918
Base-Backbone interact. energy: 1.777
local terms energy: -429.966931
where:
bonds (distance) C4'-P energy: -103.507
bonds (distance) P-C4' energy: -111.607
flat angles C4'-P-C4' energy: -103.269
flat angles P-C4'-P energy: -67.932
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: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -881.000508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.000508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.000508 (E_RNA)
where:
Base-Base interactions energy: -460.620
where: short stacking energy: -254.997
Base-Backbone interact. energy: -3.232
local terms energy: -417.147863
where:
bonds (distance) C4'-P energy: -113.801
bonds (distance) P-C4' energy: -124.215
flat angles C4'-P-C4' energy: -113.319
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: -20.472
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: 54
Temperature: 1.300000
Total energy: -794.205648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.205648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.205648 (E_RNA)
where:
Base-Base interactions energy: -414.128
where: short stacking energy: -229.765
Base-Backbone interact. energy: 2.441
local terms energy: -382.517974
where:
bonds (distance) C4'-P energy: -90.204
bonds (distance) P-C4' energy: -96.754
flat angles C4'-P-C4' energy: -114.271
flat angles P-C4'-P energy: -68.611
tors. eta vs tors. theta energy: -12.677
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: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -697.114135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.114135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.114135 (E_RNA)
where:
Base-Base interactions energy: -357.958
where: short stacking energy: -209.410
Base-Backbone interact. energy: 2.274
local terms energy: -341.430082
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -104.552
flat angles C4'-P-C4' energy: -88.813
flat angles P-C4'-P energy: -57.621
tors. eta vs tors. theta energy: 2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2055.196714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.196714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.196714 (E_RNA)
where:
Base-Base interactions energy: -1365.633
where: short stacking energy: -641.543
Base-Backbone interact. energy: -3.069
local terms energy: -686.494472
where:
bonds (distance) C4'-P energy: -126.764
bonds (distance) P-C4' energy: -140.723
flat angles C4'-P-C4' energy: -142.810
flat angles P-C4'-P energy: -92.351
tors. eta vs tors. theta energy: -183.847
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: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1982.812532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.812532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.812532 (E_RNA)
where:
Base-Base interactions energy: -1320.772
where: short stacking energy: -590.337
Base-Backbone interact. energy: -1.014
local terms energy: -661.026410
where:
bonds (distance) C4'-P energy: -122.498
bonds (distance) P-C4' energy: -134.700
flat angles C4'-P-C4' energy: -159.015
flat angles P-C4'-P energy: -91.344
tors. eta vs tors. theta energy: -153.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1890.388638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.388638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.388638 (E_RNA)
where:
Base-Base interactions energy: -1245.256
where: short stacking energy: -556.624
Base-Backbone interact. energy: -1.876
local terms energy: -643.256557
where:
bonds (distance) C4'-P energy: -122.687
bonds (distance) P-C4' energy: -136.347
flat angles C4'-P-C4' energy: -137.317
flat angles P-C4'-P energy: -85.870
tors. eta vs tors. theta energy: -161.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1590.238118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.238118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.238118 (E_RNA)
where:
Base-Base interactions energy: -1002.789
where: short stacking energy: -465.240
Base-Backbone interact. energy: -3.108
local terms energy: -584.341203
where:
bonds (distance) C4'-P energy: -119.639
bonds (distance) P-C4' energy: -127.460
flat angles C4'-P-C4' energy: -136.834
flat angles P-C4'-P energy: -80.673
tors. eta vs tors. theta energy: -119.735
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: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1684.321044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.321044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.321044 (E_RNA)
where:
Base-Base interactions energy: -1086.370
where: short stacking energy: -479.964
Base-Backbone interact. energy: -2.386
local terms energy: -595.564339
where:
bonds (distance) C4'-P energy: -110.536
bonds (distance) P-C4' energy: -130.831
flat angles C4'-P-C4' energy: -135.045
flat angles P-C4'-P energy: -88.102
tors. eta vs tors. theta energy: -131.050
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: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1535.150405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.150405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.150405 (E_RNA)
where:
Base-Base interactions energy: -1001.227
where: short stacking energy: -441.400
Base-Backbone interact. energy: -3.005
local terms energy: -530.917998
where:
bonds (distance) C4'-P energy: -102.847
bonds (distance) P-C4' energy: -135.058
flat angles C4'-P-C4' energy: -122.073
flat angles P-C4'-P energy: -72.676
tors. eta vs tors. theta energy: -98.263
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: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1138.262210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.262210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.262210 (E_RNA)
where:
Base-Base interactions energy: -655.274
where: short stacking energy: -314.278
Base-Backbone interact. energy: 0.403
local terms energy: -483.391002
where:
bonds (distance) C4'-P energy: -107.836
bonds (distance) P-C4' energy: -127.544
flat angles C4'-P-C4' energy: -110.892
flat angles P-C4'-P energy: -74.968
tors. eta vs tors. theta energy: -62.151
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: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -874.959865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.959865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.959865 (E_RNA)
where:
Base-Base interactions energy: -443.965
where: short stacking energy: -244.786
Base-Backbone interact. energy: 8.724
local terms energy: -439.719249
where:
bonds (distance) C4'-P energy: -109.720
bonds (distance) P-C4' energy: -116.302
flat angles C4'-P-C4' energy: -92.058
flat angles P-C4'-P energy: -80.150
tors. eta vs tors. theta energy: -41.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -769.337244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.337244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.337244 (E_RNA)
where:
Base-Base interactions energy: -396.511
where: short stacking energy: -240.522
Base-Backbone interact. energy: 1.654
local terms energy: -374.480064
where:
bonds (distance) C4'-P energy: -90.786
bonds (distance) P-C4' energy: -113.171
flat angles C4'-P-C4' energy: -88.348
flat angles P-C4'-P energy: -54.950
tors. eta vs tors. theta energy: -27.225
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: 55
Temperature: 1.350000
Total energy: -724.161846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.161846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.161846 (E_RNA)
where:
Base-Base interactions energy: -362.013
where: short stacking energy: -209.285
Base-Backbone interact. energy: 1.267
local terms energy: -363.415502
where:
bonds (distance) C4'-P energy: -97.902
bonds (distance) P-C4' energy: -99.799
flat angles C4'-P-C4' energy: -106.222
flat angles P-C4'-P energy: -64.038
tors. eta vs tors. theta energy: 4.546
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: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2048.308972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.308972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.308972 (E_RNA)
where:
Base-Base interactions energy: -1357.946
where: short stacking energy: -632.611
Base-Backbone interact. energy: -2.696
local terms energy: -687.666461
where:
bonds (distance) C4'-P energy: -118.557
bonds (distance) P-C4' energy: -136.849
flat angles C4'-P-C4' energy: -144.585
flat angles P-C4'-P energy: -103.530
tors. eta vs tors. theta energy: -184.146
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: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1968.441188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.441188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.441188 (E_RNA)
where:
Base-Base interactions energy: -1280.607
where: short stacking energy: -565.640
Base-Backbone interact. energy: -1.043
local terms energy: -686.792049
where:
bonds (distance) C4'-P energy: -136.063
bonds (distance) P-C4' energy: -147.711
flat angles C4'-P-C4' energy: -149.239
flat angles P-C4'-P energy: -99.533
tors. eta vs tors. theta energy: -154.245
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: 56
Temperature: 1.000000
Total energy: -1871.378393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.378393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.378393 (E_RNA)
where:
Base-Base interactions energy: -1250.812
where: short stacking energy: -586.496
Base-Backbone interact. energy: -1.122
local terms energy: -619.444720
where:
bonds (distance) C4'-P energy: -119.514
bonds (distance) P-C4' energy: -126.572
flat angles C4'-P-C4' energy: -132.650
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -158.918
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: 56
Temperature: 1.050000
Total energy: -1591.142450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.142450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.142450 (E_RNA)
where:
Base-Base interactions energy: -1043.695
where: short stacking energy: -493.563
Base-Backbone interact. energy: 1.498
local terms energy: -548.945764
where:
bonds (distance) C4'-P energy: -103.751
bonds (distance) P-C4' energy: -104.089
flat angles C4'-P-C4' energy: -130.269
flat angles P-C4'-P energy: -91.909
tors. eta vs tors. theta energy: -118.929
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: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1617.074200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.074200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.074200 (E_RNA)
where:
Base-Base interactions energy: -1065.633
where: short stacking energy: -487.938
Base-Backbone interact. energy: -0.254
local terms energy: -551.187411
where:
bonds (distance) C4'-P energy: -102.897
bonds (distance) P-C4' energy: -111.794
flat angles C4'-P-C4' energy: -126.232
flat angles P-C4'-P energy: -76.131
tors. eta vs tors. theta energy: -134.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1519.328605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.328605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.328605 (E_RNA)
where:
Base-Base interactions energy: -939.409
where: short stacking energy: -451.297
Base-Backbone interact. energy: -0.090
local terms energy: -579.829529
where:
bonds (distance) C4'-P energy: -119.312
bonds (distance) P-C4' energy: -121.933
flat angles C4'-P-C4' energy: -141.188
flat angles P-C4'-P energy: -87.254
tors. eta vs tors. theta energy: -110.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1123.192424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.192424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.192424 (E_RNA)
where:
Base-Base interactions energy: -674.972
where: short stacking energy: -346.044
Base-Backbone interact. energy: -1.483
local terms energy: -446.737202
where:
bonds (distance) C4'-P energy: -118.252
bonds (distance) P-C4' energy: -110.681
flat angles C4'-P-C4' energy: -107.445
flat angles P-C4'-P energy: -71.308
tors. eta vs tors. theta energy: -39.050
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: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -883.750888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.750888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.750888 (E_RNA)
where:
Base-Base interactions energy: -481.936
where: short stacking energy: -284.914
Base-Backbone interact. energy: 2.935
local terms energy: -404.750581
where:
bonds (distance) C4'-P energy: -96.997
bonds (distance) P-C4' energy: -116.171
flat angles C4'-P-C4' energy: -101.625
flat angles P-C4'-P energy: -60.907
tors. eta vs tors. theta energy: -29.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -791.586431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.586431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.586431 (E_RNA)
where:
Base-Base interactions energy: -409.284
where: short stacking energy: -236.511
Base-Backbone interact. energy: 0.544
local terms energy: -382.846636
where:
bonds (distance) C4'-P energy: -88.839
bonds (distance) P-C4' energy: -104.756
flat angles C4'-P-C4' energy: -107.787
flat angles P-C4'-P energy: -61.767
tors. eta vs tors. theta energy: -19.697
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: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -750.461173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.461173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.461173 (E_RNA)
where:
Base-Base interactions energy: -369.238
where: short stacking energy: -211.708
Base-Backbone interact. energy: 0.878
local terms energy: -382.101539
where:
bonds (distance) C4'-P energy: -91.716
bonds (distance) P-C4' energy: -109.768
flat angles C4'-P-C4' energy: -89.640
flat angles P-C4'-P energy: -80.752
tors. eta vs tors. theta energy: -10.226
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: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2042.269343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.269343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.269343 (E_RNA)
where:
Base-Base interactions energy: -1357.322
where: short stacking energy: -641.627
Base-Backbone interact. energy: 0.015
local terms energy: -684.962322
where:
bonds (distance) C4'-P energy: -121.032
bonds (distance) P-C4' energy: -140.461
flat angles C4'-P-C4' energy: -142.867
flat angles P-C4'-P energy: -95.112
tors. eta vs tors. theta energy: -185.490
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: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1960.047365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.047365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.047365 (E_RNA)
where:
Base-Base interactions energy: -1305.776
where: short stacking energy: -602.679
Base-Backbone interact. energy: -2.187
local terms energy: -652.084033
where:
bonds (distance) C4'-P energy: -130.078
bonds (distance) P-C4' energy: -139.565
flat angles C4'-P-C4' energy: -132.343
flat angles P-C4'-P energy: -83.707
tors. eta vs tors. theta energy: -166.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1903.011056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.011056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.011056 (E_RNA)
where:
Base-Base interactions energy: -1274.308
where: short stacking energy: -567.796
Base-Backbone interact. energy: -1.290
local terms energy: -627.412974
where:
bonds (distance) C4'-P energy: -128.939
bonds (distance) P-C4' energy: -125.246
flat angles C4'-P-C4' energy: -125.013
flat angles P-C4'-P energy: -88.783
tors. eta vs tors. theta energy: -159.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1703.974347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.974347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.974347 (E_RNA)
where:
Base-Base interactions energy: -1088.762
where: short stacking energy: -494.743
Base-Backbone interact. energy: 1.136
local terms energy: -616.347810
where:
bonds (distance) C4'-P energy: -117.451
bonds (distance) P-C4' energy: -136.930
flat angles C4'-P-C4' energy: -137.224
flat angles P-C4'-P energy: -87.033
tors. eta vs tors. theta energy: -137.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1593.017572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.017572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.017572 (E_RNA)
where:
Base-Base interactions energy: -1047.167
where: short stacking energy: -489.927
Base-Backbone interact. energy: -0.561
local terms energy: -545.289455
where:
bonds (distance) C4'-P energy: -126.055
bonds (distance) P-C4' energy: -110.269
flat angles C4'-P-C4' energy: -112.341
flat angles P-C4'-P energy: -86.468
tors. eta vs tors. theta energy: -110.157
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: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1537.193508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.193508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.193508 (E_RNA)
where:
Base-Base interactions energy: -995.658
where: short stacking energy: -451.241
Base-Backbone interact. energy: -0.796
local terms energy: -540.739113
where:
bonds (distance) C4'-P energy: -108.382
bonds (distance) P-C4' energy: -117.323
flat angles C4'-P-C4' energy: -126.143
flat angles P-C4'-P energy: -85.389
tors. eta vs tors. theta energy: -103.501
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: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1149.567088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.567088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.567088 (E_RNA)
where:
Base-Base interactions energy: -667.988
where: short stacking energy: -355.528
Base-Backbone interact. energy: -3.294
local terms energy: -478.285059
where:
bonds (distance) C4'-P energy: -116.398
bonds (distance) P-C4' energy: -123.347
flat angles C4'-P-C4' energy: -113.468
flat angles P-C4'-P energy: -60.185
tors. eta vs tors. theta energy: -64.888
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: 57
Temperature: 1.250000
Total energy: -861.224138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.224138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.224138 (E_RNA)
where:
Base-Base interactions energy: -470.058
where: short stacking energy: -252.659
Base-Backbone interact. energy: 3.199
local terms energy: -394.364534
where:
bonds (distance) C4'-P energy: -98.813
bonds (distance) P-C4' energy: -117.068
flat angles C4'-P-C4' energy: -74.299
flat angles P-C4'-P energy: -77.808
tors. eta vs tors. theta energy: -26.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -784.032073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.032073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.032073 (E_RNA)
where:
Base-Base interactions energy: -415.284
where: short stacking energy: -251.066
Base-Backbone interact. energy: 7.601
local terms energy: -376.349256
where:
bonds (distance) C4'-P energy: -98.577
bonds (distance) P-C4' energy: -119.061
flat angles C4'-P-C4' energy: -102.729
flat angles P-C4'-P energy: -43.431
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -715.351267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.351267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.351267 (E_RNA)
where:
Base-Base interactions energy: -349.853
where: short stacking energy: -171.450
Base-Backbone interact. energy: 1.051
local terms energy: -366.548723
where:
bonds (distance) C4'-P energy: -104.750
bonds (distance) P-C4' energy: -107.121
flat angles C4'-P-C4' energy: -105.095
flat angles P-C4'-P energy: -64.881
tors. eta vs tors. theta energy: 15.299
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: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2109.463841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.463841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.463841 (E_RNA)
where:
Base-Base interactions energy: -1407.855
where: short stacking energy: -659.133
Base-Backbone interact. energy: -0.899
local terms energy: -700.709924
where:
bonds (distance) C4'-P energy: -136.997
bonds (distance) P-C4' energy: -129.775
flat angles C4'-P-C4' energy: -155.089
flat angles P-C4'-P energy: -87.091
tors. eta vs tors. theta energy: -191.757
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: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1998.370850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.370850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.370850 (E_RNA)
where:
Base-Base interactions energy: -1369.782
where: short stacking energy: -617.945
Base-Backbone interact. energy: 2.299
local terms energy: -630.887177
where:
bonds (distance) C4'-P energy: -119.168
bonds (distance) P-C4' energy: -102.979
flat angles C4'-P-C4' energy: -145.722
flat angles P-C4'-P energy: -84.764
tors. eta vs tors. theta energy: -178.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1905.701998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.701998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.701998 (E_RNA)
where:
Base-Base interactions energy: -1262.218
where: short stacking energy: -555.880
Base-Backbone interact. energy: -4.398
local terms energy: -639.086151
where:
bonds (distance) C4'-P energy: -125.703
bonds (distance) P-C4' energy: -127.510
flat angles C4'-P-C4' energy: -133.752
flat angles P-C4'-P energy: -90.803
tors. eta vs tors. theta energy: -161.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1727.186700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.186700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.186700 (E_RNA)
where:
Base-Base interactions energy: -1119.979
where: short stacking energy: -519.086
Base-Backbone interact. energy: 2.711
local terms energy: -609.918456
where:
bonds (distance) C4'-P energy: -127.632
bonds (distance) P-C4' energy: -111.503
flat angles C4'-P-C4' energy: -136.268
flat angles P-C4'-P energy: -91.071
tors. eta vs tors. theta energy: -143.445
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: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1602.279332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.279332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.279332 (E_RNA)
where:
Base-Base interactions energy: -1014.286
where: short stacking energy: -461.863
Base-Backbone interact. energy: 2.500
local terms energy: -590.493194
where:
bonds (distance) C4'-P energy: -114.197
bonds (distance) P-C4' energy: -131.474
flat angles C4'-P-C4' energy: -119.894
flat angles P-C4'-P energy: -96.353
tors. eta vs tors. theta energy: -128.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1511.745756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.745756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.745756 (E_RNA)
where:
Base-Base interactions energy: -987.497
where: short stacking energy: -450.378
Base-Backbone interact. energy: -1.936
local terms energy: -522.312336
where:
bonds (distance) C4'-P energy: -92.882
bonds (distance) P-C4' energy: -118.054
flat angles C4'-P-C4' energy: -129.790
flat angles P-C4'-P energy: -71.499
tors. eta vs tors. theta energy: -110.087
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: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1129.107152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.107152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.107152 (E_RNA)
where:
Base-Base interactions energy: -670.146
where: short stacking energy: -307.519
Base-Backbone interact. energy: 0.250
local terms energy: -459.211096
where:
bonds (distance) C4'-P energy: -97.241
bonds (distance) P-C4' energy: -118.253
flat angles C4'-P-C4' energy: -113.523
flat angles P-C4'-P energy: -75.511
tors. eta vs tors. theta energy: -54.683
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: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -843.756909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.756909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.756909 (E_RNA)
where:
Base-Base interactions energy: -436.756
where: short stacking energy: -227.103
Base-Backbone interact. energy: 0.078
local terms energy: -407.078458
where:
bonds (distance) C4'-P energy: -109.600
bonds (distance) P-C4' energy: -122.051
flat angles C4'-P-C4' energy: -107.724
flat angles P-C4'-P energy: -53.756
tors. eta vs tors. theta energy: -13.948
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: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -804.535041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.535041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.535041 (E_RNA)
where:
Base-Base interactions energy: -400.178
where: short stacking energy: -244.462
Base-Backbone interact. energy: 0.920
local terms energy: -405.276970
where:
bonds (distance) C4'-P energy: -97.224
bonds (distance) P-C4' energy: -112.795
flat angles C4'-P-C4' energy: -97.622
flat angles P-C4'-P energy: -72.621
tors. eta vs tors. theta energy: -25.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -750.034489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.034489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.034489 (E_RNA)
where:
Base-Base interactions energy: -382.247
where: short stacking energy: -206.339
Base-Backbone interact. energy: 4.526
local terms energy: -372.313944
where:
bonds (distance) C4'-P energy: -92.979
bonds (distance) P-C4' energy: -116.221
flat angles C4'-P-C4' energy: -103.473
flat angles P-C4'-P energy: -53.038
tors. eta vs tors. theta energy: -6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2115.503491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.503491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.503491 (E_RNA)
where:
Base-Base interactions energy: -1413.859
where: short stacking energy: -670.921
Base-Backbone interact. energy: -4.838
local terms energy: -696.805980
where:
bonds (distance) C4'-P energy: -123.260
bonds (distance) P-C4' energy: -128.933
flat angles C4'-P-C4' energy: -150.381
flat angles P-C4'-P energy: -92.705
tors. eta vs tors. theta energy: -201.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1966.513471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.513471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.513471 (E_RNA)
where:
Base-Base interactions energy: -1323.942
where: short stacking energy: -594.787
Base-Backbone interact. energy: -1.393
local terms energy: -641.178507
where:
bonds (distance) C4'-P energy: -118.019
bonds (distance) P-C4' energy: -134.667
flat angles C4'-P-C4' energy: -142.765
flat angles P-C4'-P energy: -86.825
tors. eta vs tors. theta energy: -158.903
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: 59
Temperature: 1.000000
Total energy: -1921.981593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.981593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.981593 (E_RNA)
where:
Base-Base interactions energy: -1277.428
where: short stacking energy: -560.320
Base-Backbone interact. energy: -3.185
local terms energy: -641.369208
where:
bonds (distance) C4'-P energy: -127.251
bonds (distance) P-C4' energy: -130.378
flat angles C4'-P-C4' energy: -142.806
flat angles P-C4'-P energy: -72.511
tors. eta vs tors. theta energy: -168.424
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: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1751.874099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.874099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.874099 (E_RNA)
where:
Base-Base interactions energy: -1118.513
where: short stacking energy: -512.105
Base-Backbone interact. energy: 1.655
local terms energy: -635.015431
where:
bonds (distance) C4'-P energy: -131.334
bonds (distance) P-C4' energy: -124.201
flat angles C4'-P-C4' energy: -134.497
flat angles P-C4'-P energy: -91.503
tors. eta vs tors. theta energy: -153.481
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: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1548.733323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.733323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.733323 (E_RNA)
where:
Base-Base interactions energy: -961.475
where: short stacking energy: -482.911
Base-Backbone interact. energy: -2.607
local terms energy: -584.651222
where:
bonds (distance) C4'-P energy: -126.271
bonds (distance) P-C4' energy: -119.457
flat angles C4'-P-C4' energy: -128.574
flat angles P-C4'-P energy: -79.141
tors. eta vs tors. theta energy: -131.208
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: 59
Temperature: 1.150000
Total energy: -1525.186289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.186289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.186289 (E_RNA)
where:
Base-Base interactions energy: -1000.529
where: short stacking energy: -457.888
Base-Backbone interact. energy: -2.855
local terms energy: -521.802029
where:
bonds (distance) C4'-P energy: -85.690
bonds (distance) P-C4' energy: -115.463
flat angles C4'-P-C4' energy: -130.804
flat angles P-C4'-P energy: -69.785
tors. eta vs tors. theta energy: -120.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1120.557131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.557131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.557131 (E_RNA)
where:
Base-Base interactions energy: -646.847
where: short stacking energy: -350.074
Base-Backbone interact. energy: 1.017
local terms energy: -474.726836
where:
bonds (distance) C4'-P energy: -96.217
bonds (distance) P-C4' energy: -116.178
flat angles C4'-P-C4' energy: -117.294
flat angles P-C4'-P energy: -80.306
tors. eta vs tors. theta energy: -64.731
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: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -872.576184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.576184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.576184 (E_RNA)
where:
Base-Base interactions energy: -487.948
where: short stacking energy: -265.688
Base-Backbone interact. energy: -2.250
local terms energy: -382.377652
where:
bonds (distance) C4'-P energy: -102.958
bonds (distance) P-C4' energy: -122.207
flat angles C4'-P-C4' energy: -92.613
flat angles P-C4'-P energy: -51.332
tors. eta vs tors. theta energy: -13.267
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: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -748.501662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.501662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.501662 (E_RNA)
where:
Base-Base interactions energy: -391.656
where: short stacking energy: -227.244
Base-Backbone interact. energy: 0.487
local terms energy: -357.332843
where:
bonds (distance) C4'-P energy: -88.399
bonds (distance) P-C4' energy: -111.228
flat angles C4'-P-C4' energy: -100.328
flat angles P-C4'-P energy: -54.767
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -756.958790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.958790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.958790 (E_RNA)
where:
Base-Base interactions energy: -402.195
where: short stacking energy: -225.827
Base-Backbone interact. energy: -2.147
local terms energy: -352.616254
where:
bonds (distance) C4'-P energy: -76.977
bonds (distance) P-C4' energy: -96.446
flat angles C4'-P-C4' energy: -103.633
flat angles P-C4'-P energy: -68.930
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2069.148661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.148661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.148661 (E_RNA)
where:
Base-Base interactions energy: -1371.017
where: short stacking energy: -654.827
Base-Backbone interact. energy: -4.854
local terms energy: -693.278305
where:
bonds (distance) C4'-P energy: -138.917
bonds (distance) P-C4' energy: -130.325
flat angles C4'-P-C4' energy: -148.876
flat angles P-C4'-P energy: -91.983
tors. eta vs tors. theta energy: -183.178
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: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1963.164849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.164849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.164849 (E_RNA)
where:
Base-Base interactions energy: -1319.804
where: short stacking energy: -582.469
Base-Backbone interact. energy: -5.391
local terms energy: -637.970141
where:
bonds (distance) C4'-P energy: -116.125
bonds (distance) P-C4' energy: -124.121
flat angles C4'-P-C4' energy: -144.383
flat angles P-C4'-P energy: -92.638
tors. eta vs tors. theta energy: -160.704
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: 60
Temperature: 1.000000
Total energy: -1900.291184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.291184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.291184 (E_RNA)
where:
Base-Base interactions energy: -1238.532
where: short stacking energy: -572.458
Base-Backbone interact. energy: -1.737
local terms energy: -660.021776
where:
bonds (distance) C4'-P energy: -126.261
bonds (distance) P-C4' energy: -119.991
flat angles C4'-P-C4' energy: -137.404
flat angles P-C4'-P energy: -99.735
tors. eta vs tors. theta energy: -176.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1745.529639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.529639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.529639 (E_RNA)
where:
Base-Base interactions energy: -1087.042
where: short stacking energy: -508.230
Base-Backbone interact. energy: -0.806
local terms energy: -657.681709
where:
bonds (distance) C4'-P energy: -124.045
bonds (distance) P-C4' energy: -123.666
flat angles C4'-P-C4' energy: -150.345
flat angles P-C4'-P energy: -101.729
tors. eta vs tors. theta energy: -157.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1603.984895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.984895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.984895 (E_RNA)
where:
Base-Base interactions energy: -1063.705
where: short stacking energy: -504.378
Base-Backbone interact. energy: -0.822
local terms energy: -539.458190
where:
bonds (distance) C4'-P energy: -106.263
bonds (distance) P-C4' energy: -122.632
flat angles C4'-P-C4' energy: -117.595
flat angles P-C4'-P energy: -73.518
tors. eta vs tors. theta energy: -119.450
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: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1513.124850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.124850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.124850 (E_RNA)
where:
Base-Base interactions energy: -960.942
where: short stacking energy: -468.151
Base-Backbone interact. energy: 2.224
local terms energy: -554.407043
where:
bonds (distance) C4'-P energy: -106.793
bonds (distance) P-C4' energy: -109.351
flat angles C4'-P-C4' energy: -129.084
flat angles P-C4'-P energy: -93.983
tors. eta vs tors. theta energy: -115.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1168.311767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.311767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.311767 (E_RNA)
where:
Base-Base interactions energy: -714.634
where: short stacking energy: -349.480
Base-Backbone interact. energy: 3.191
local terms energy: -456.869366
where:
bonds (distance) C4'-P energy: -110.477
bonds (distance) P-C4' energy: -125.650
flat angles C4'-P-C4' energy: -108.165
flat angles P-C4'-P energy: -62.951
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: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -885.655688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.655688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.655688 (E_RNA)
where:
Base-Base interactions energy: -461.753
where: short stacking energy: -262.577
Base-Backbone interact. energy: -4.339
local terms energy: -419.563260
where:
bonds (distance) C4'-P energy: -115.245
bonds (distance) P-C4' energy: -96.906
flat angles C4'-P-C4' energy: -110.783
flat angles P-C4'-P energy: -62.243
tors. eta vs tors. theta energy: -34.386
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: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -766.699114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.699114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.699114 (E_RNA)
where:
Base-Base interactions energy: -385.082
where: short stacking energy: -215.744
Base-Backbone interact. energy: -0.033
local terms energy: -381.583964
where:
bonds (distance) C4'-P energy: -107.592
bonds (distance) P-C4' energy: -110.103
flat angles C4'-P-C4' energy: -91.518
flat angles P-C4'-P energy: -57.763
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -705.551634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.551634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.551634 (E_RNA)
where:
Base-Base interactions energy: -324.910
where: short stacking energy: -195.917
Base-Backbone interact. energy: -3.775
local terms energy: -376.866471
where:
bonds (distance) C4'-P energy: -109.641
bonds (distance) P-C4' energy: -106.179
flat angles C4'-P-C4' energy: -106.151
flat angles P-C4'-P energy: -52.404
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2092.254743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.254743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.254743 (E_RNA)
where:
Base-Base interactions energy: -1374.874
where: short stacking energy: -633.422
Base-Backbone interact. energy: -2.823
local terms energy: -714.557624
where:
bonds (distance) C4'-P energy: -137.036
bonds (distance) P-C4' energy: -135.482
flat angles C4'-P-C4' energy: -161.584
flat angles P-C4'-P energy: -95.573
tors. eta vs tors. theta energy: -184.882
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: 61
Temperature: 0.950000
Total energy: -1973.604288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.604288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.604288 (E_RNA)
where:
Base-Base interactions energy: -1303.285
where: short stacking energy: -602.926
Base-Backbone interact. energy: -1.963
local terms energy: -668.355914
where:
bonds (distance) C4'-P energy: -147.777
bonds (distance) P-C4' energy: -116.123
flat angles C4'-P-C4' energy: -154.269
flat angles P-C4'-P energy: -80.900
tors. eta vs tors. theta energy: -169.288
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: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1889.182751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.182751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.182751 (E_RNA)
where:
Base-Base interactions energy: -1267.206
where: short stacking energy: -566.043
Base-Backbone interact. energy: 1.246
local terms energy: -623.222711
where:
bonds (distance) C4'-P energy: -115.016
bonds (distance) P-C4' energy: -123.745
flat angles C4'-P-C4' energy: -137.466
flat angles P-C4'-P energy: -97.183
tors. eta vs tors. theta energy: -149.811
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: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1745.401622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.401622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.401622 (E_RNA)
where:
Base-Base interactions energy: -1115.912
where: short stacking energy: -511.889
Base-Backbone interact. energy: -3.291
local terms energy: -626.198665
where:
bonds (distance) C4'-P energy: -137.409
bonds (distance) P-C4' energy: -144.822
flat angles C4'-P-C4' energy: -123.532
flat angles P-C4'-P energy: -90.082
tors. eta vs tors. theta energy: -130.354
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: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1685.560223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.560223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.560223 (E_RNA)
where:
Base-Base interactions energy: -1137.696
where: short stacking energy: -516.639
Base-Backbone interact. energy: -1.580
local terms energy: -546.284470
where:
bonds (distance) C4'-P energy: -118.725
bonds (distance) P-C4' energy: -95.421
flat angles C4'-P-C4' energy: -129.814
flat angles P-C4'-P energy: -63.010
tors. eta vs tors. theta energy: -139.314
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: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1492.367574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.367574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.367574 (E_RNA)
where:
Base-Base interactions energy: -940.965
where: short stacking energy: -449.333
Base-Backbone interact. energy: -1.459
local terms energy: -549.943210
where:
bonds (distance) C4'-P energy: -111.628
bonds (distance) P-C4' energy: -110.943
flat angles C4'-P-C4' energy: -118.058
flat angles P-C4'-P energy: -77.935
tors. eta vs tors. theta energy: -131.380
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: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1179.586359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.586359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.586359 (E_RNA)
where:
Base-Base interactions energy: -714.455
where: short stacking energy: -333.964
Base-Backbone interact. energy: 0.356
local terms energy: -465.487200
where:
bonds (distance) C4'-P energy: -113.273
bonds (distance) P-C4' energy: -117.610
flat angles C4'-P-C4' energy: -107.923
flat angles P-C4'-P energy: -60.995
tors. eta vs tors. theta energy: -65.686
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: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -825.867974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.867974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.867974 (E_RNA)
where:
Base-Base interactions energy: -428.404
where: short stacking energy: -240.291
Base-Backbone interact. energy: 0.007
local terms energy: -397.470635
where:
bonds (distance) C4'-P energy: -92.848
bonds (distance) P-C4' energy: -118.024
flat angles C4'-P-C4' energy: -95.147
flat angles P-C4'-P energy: -70.227
tors. eta vs tors. theta energy: -21.224
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: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -832.322787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.322787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.322787 (E_RNA)
where:
Base-Base interactions energy: -430.793
where: short stacking energy: -261.480
Base-Backbone interact. energy: 1.445
local terms energy: -402.974649
where:
bonds (distance) C4'-P energy: -113.360
bonds (distance) P-C4' energy: -104.876
flat angles C4'-P-C4' energy: -107.927
flat angles P-C4'-P energy: -54.611
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -709.575970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.575970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.575970 (E_RNA)
where:
Base-Base interactions energy: -346.253
where: short stacking energy: -191.578
Base-Backbone interact. energy: 0.369
local terms energy: -363.691289
where:
bonds (distance) C4'-P energy: -117.556
bonds (distance) P-C4' energy: -116.896
flat angles C4'-P-C4' energy: -98.898
flat angles P-C4'-P energy: -38.409
tors. eta vs tors. theta energy: 8.068
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: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2072.965447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.965447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.965447 (E_RNA)
where:
Base-Base interactions energy: -1379.127
where: short stacking energy: -641.268
Base-Backbone interact. energy: -1.781
local terms energy: -692.057459
where:
bonds (distance) C4'-P energy: -127.571
bonds (distance) P-C4' energy: -129.512
flat angles C4'-P-C4' energy: -152.456
flat angles P-C4'-P energy: -102.624
tors. eta vs tors. theta energy: -179.895
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: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1993.976739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.976739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.976739 (E_RNA)
where:
Base-Base interactions energy: -1332.063
where: short stacking energy: -592.808
Base-Backbone interact. energy: -1.618
local terms energy: -660.295526
where:
bonds (distance) C4'-P energy: -130.282
bonds (distance) P-C4' energy: -120.835
flat angles C4'-P-C4' energy: -155.222
flat angles P-C4'-P energy: -81.088
tors. eta vs tors. theta energy: -172.868
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: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1880.539966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.539966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.539966 (E_RNA)
where:
Base-Base interactions energy: -1230.409
where: short stacking energy: -565.677
Base-Backbone interact. energy: -1.923
local terms energy: -648.207746
where:
bonds (distance) C4'-P energy: -121.757
bonds (distance) P-C4' energy: -127.775
flat angles C4'-P-C4' energy: -129.394
flat angles P-C4'-P energy: -97.105
tors. eta vs tors. theta energy: -172.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1789.524837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.524837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.524837 (E_RNA)
where:
Base-Base interactions energy: -1154.807
where: short stacking energy: -544.700
Base-Backbone interact. energy: -0.965
local terms energy: -633.753400
where:
bonds (distance) C4'-P energy: -122.129
bonds (distance) P-C4' energy: -122.082
flat angles C4'-P-C4' energy: -139.704
flat angles P-C4'-P energy: -94.112
tors. eta vs tors. theta energy: -155.726
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: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1716.743067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.743067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.743067 (E_RNA)
where:
Base-Base interactions energy: -1139.055
where: short stacking energy: -508.248
Base-Backbone interact. energy: 3.071
local terms energy: -580.758381
where:
bonds (distance) C4'-P energy: -118.848
bonds (distance) P-C4' energy: -116.968
flat angles C4'-P-C4' energy: -129.661
flat angles P-C4'-P energy: -81.847
tors. eta vs tors. theta energy: -133.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1457.883899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.883899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.883899 (E_RNA)
where:
Base-Base interactions energy: -925.868
where: short stacking energy: -445.670
Base-Backbone interact. energy: -2.139
local terms energy: -529.877601
where:
bonds (distance) C4'-P energy: -117.388
bonds (distance) P-C4' energy: -128.918
flat angles C4'-P-C4' energy: -98.215
flat angles P-C4'-P energy: -65.314
tors. eta vs tors. theta energy: -120.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1115.149459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.149459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.149459 (E_RNA)
where:
Base-Base interactions energy: -641.359
where: short stacking energy: -317.852
Base-Backbone interact. energy: -2.843
local terms energy: -470.947616
where:
bonds (distance) C4'-P energy: -109.905
bonds (distance) P-C4' energy: -132.381
flat angles C4'-P-C4' energy: -97.743
flat angles P-C4'-P energy: -71.719
tors. eta vs tors. theta energy: -59.200
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: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -863.754169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.754169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.754169 (E_RNA)
where:
Base-Base interactions energy: -422.462
where: short stacking energy: -245.092
Base-Backbone interact. energy: -1.186
local terms energy: -440.106946
where:
bonds (distance) C4'-P energy: -112.481
bonds (distance) P-C4' energy: -108.216
flat angles C4'-P-C4' energy: -116.299
flat angles P-C4'-P energy: -73.904
tors. eta vs tors. theta energy: -29.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -819.310377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.310377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.310377 (E_RNA)
where:
Base-Base interactions energy: -423.885
where: short stacking energy: -235.182
Base-Backbone interact. energy: -1.834
local terms energy: -393.591033
where:
bonds (distance) C4'-P energy: -102.595
bonds (distance) P-C4' energy: -111.426
flat angles C4'-P-C4' energy: -104.158
flat angles P-C4'-P energy: -52.498
tors. eta vs tors. theta energy: -22.915
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: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -724.734740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.734740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.734740 (E_RNA)
where:
Base-Base interactions energy: -351.758
where: short stacking energy: -194.357
Base-Backbone interact. energy: -3.683
local terms energy: -369.292976
where:
bonds (distance) C4'-P energy: -104.763
bonds (distance) P-C4' energy: -106.995
flat angles C4'-P-C4' energy: -97.471
flat angles P-C4'-P energy: -68.641
tors. eta vs tors. theta energy: 8.577
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: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2099.373861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.373861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.373861 (E_RNA)
where:
Base-Base interactions energy: -1424.462
where: short stacking energy: -660.293
Base-Backbone interact. energy: -2.014
local terms energy: -672.898372
where:
bonds (distance) C4'-P energy: -130.861
bonds (distance) P-C4' energy: -121.449
flat angles C4'-P-C4' energy: -151.022
flat angles P-C4'-P energy: -90.663
tors. eta vs tors. theta energy: -178.905
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: 63
Temperature: 0.950000
Total energy: -2032.411252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.411252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.411252 (E_RNA)
where:
Base-Base interactions energy: -1357.465
where: short stacking energy: -627.293
Base-Backbone interact. energy: -0.513
local terms energy: -674.433435
where:
bonds (distance) C4'-P energy: -119.523
bonds (distance) P-C4' energy: -132.038
flat angles C4'-P-C4' energy: -145.173
flat angles P-C4'-P energy: -90.933
tors. eta vs tors. theta energy: -186.766
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: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1899.505162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.505162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.505162 (E_RNA)
where:
Base-Base interactions energy: -1273.424
where: short stacking energy: -606.935
Base-Backbone interact. energy: 0.094
local terms energy: -626.174801
where:
bonds (distance) C4'-P energy: -109.610
bonds (distance) P-C4' energy: -141.429
flat angles C4'-P-C4' energy: -126.763
flat angles P-C4'-P energy: -91.591
tors. eta vs tors. theta energy: -156.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1782.480594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.480594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.480594 (E_RNA)
where:
Base-Base interactions energy: -1186.313
where: short stacking energy: -521.364
Base-Backbone interact. energy: -1.144
local terms energy: -595.024311
where:
bonds (distance) C4'-P energy: -113.740
bonds (distance) P-C4' energy: -119.925
flat angles C4'-P-C4' energy: -133.996
flat angles P-C4'-P energy: -88.020
tors. eta vs tors. theta energy: -139.342
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: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1676.299244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.299244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.299244 (E_RNA)
where:
Base-Base interactions energy: -1089.953
where: short stacking energy: -502.093
Base-Backbone interact. energy: -1.589
local terms energy: -584.756861
where:
bonds (distance) C4'-P energy: -106.674
bonds (distance) P-C4' energy: -111.748
flat angles C4'-P-C4' energy: -143.894
flat angles P-C4'-P energy: -96.856
tors. eta vs tors. theta energy: -125.585
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: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1447.133049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.133049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.133049 (E_RNA)
where:
Base-Base interactions energy: -917.372
where: short stacking energy: -447.181
Base-Backbone interact. energy: 0.068
local terms energy: -529.828566
where:
bonds (distance) C4'-P energy: -112.412
bonds (distance) P-C4' energy: -105.074
flat angles C4'-P-C4' energy: -121.516
flat angles P-C4'-P energy: -68.831
tors. eta vs tors. theta energy: -121.996
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: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1155.981148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.981148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.981148 (E_RNA)
where:
Base-Base interactions energy: -695.726
where: short stacking energy: -319.333
Base-Backbone interact. energy: 4.120
local terms energy: -464.374868
where:
bonds (distance) C4'-P energy: -132.163
bonds (distance) P-C4' energy: -115.796
flat angles C4'-P-C4' energy: -101.949
flat angles P-C4'-P energy: -58.893
tors. eta vs tors. theta energy: -55.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -828.199092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.199092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.199092 (E_RNA)
where:
Base-Base interactions energy: -434.747
where: short stacking energy: -232.978
Base-Backbone interact. energy: 2.388
local terms energy: -395.839779
where:
bonds (distance) C4'-P energy: -101.698
bonds (distance) P-C4' energy: -112.976
flat angles C4'-P-C4' energy: -98.612
flat angles P-C4'-P energy: -69.371
tors. eta vs tors. theta energy: -13.183
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: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -823.081502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.081502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.081502 (E_RNA)
where:
Base-Base interactions energy: -442.215
where: short stacking energy: -229.871
Base-Backbone interact. energy: 3.309
local terms energy: -384.174676
where:
bonds (distance) C4'-P energy: -107.238
bonds (distance) P-C4' energy: -109.055
flat angles C4'-P-C4' energy: -101.416
flat angles P-C4'-P energy: -65.934
tors. eta vs tors. theta energy: -0.532
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: 63
Temperature: 1.350000
Total energy: -756.634933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.634933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.634933 (E_RNA)
where:
Base-Base interactions energy: -383.526
where: short stacking energy: -213.566
Base-Backbone interact. energy: 6.471
local terms energy: -379.580046
where:
bonds (distance) C4'-P energy: -115.624
bonds (distance) P-C4' energy: -110.589
flat angles C4'-P-C4' energy: -75.088
flat angles P-C4'-P energy: -76.770
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2142.554394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.554394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.554394 (E_RNA)
where:
Base-Base interactions energy: -1436.933
where: short stacking energy: -661.635
Base-Backbone interact. energy: -2.944
local terms energy: -702.677167
where:
bonds (distance) C4'-P energy: -130.837
bonds (distance) P-C4' energy: -117.734
flat angles C4'-P-C4' energy: -157.228
flat angles P-C4'-P energy: -102.351
tors. eta vs tors. theta energy: -194.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2000.892731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.892731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.892731 (E_RNA)
where:
Base-Base interactions energy: -1356.177
where: short stacking energy: -628.276
Base-Backbone interact. energy: -2.870
local terms energy: -641.846245
where:
bonds (distance) C4'-P energy: -119.299
bonds (distance) P-C4' energy: -120.728
flat angles C4'-P-C4' energy: -140.516
flat angles P-C4'-P energy: -83.292
tors. eta vs tors. theta energy: -178.012
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1891.341517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.341517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.341517 (E_RNA)
where:
Base-Base interactions energy: -1265.376
where: short stacking energy: -578.997
Base-Backbone interact. energy: -2.860
local terms energy: -623.105651
where:
bonds (distance) C4'-P energy: -120.033
bonds (distance) P-C4' energy: -117.033
flat angles C4'-P-C4' energy: -131.045
flat angles P-C4'-P energy: -95.209
tors. eta vs tors. theta energy: -159.786
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: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1802.840771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.840771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.840771 (E_RNA)
where:
Base-Base interactions energy: -1169.891
where: short stacking energy: -519.213
Base-Backbone interact. energy: -2.526
local terms energy: -630.424124
where:
bonds (distance) C4'-P energy: -120.105
bonds (distance) P-C4' energy: -125.965
flat angles C4'-P-C4' energy: -137.668
flat angles P-C4'-P energy: -91.541
tors. eta vs tors. theta energy: -155.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1616.604199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.604199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.604199 (E_RNA)
where:
Base-Base interactions energy: -1048.942
where: short stacking energy: -480.652
Base-Backbone interact. energy: -2.604
local terms energy: -565.058559
where:
bonds (distance) C4'-P energy: -94.872
bonds (distance) P-C4' energy: -124.477
flat angles C4'-P-C4' energy: -135.919
flat angles P-C4'-P energy: -88.002
tors. eta vs tors. theta energy: -121.788
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: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1399.868000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.868000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.868000 (E_RNA)
where:
Base-Base interactions energy: -874.335
where: short stacking energy: -414.287
Base-Backbone interact. energy: 0.519
local terms energy: -526.052021
where:
bonds (distance) C4'-P energy: -122.641
bonds (distance) P-C4' energy: -106.379
flat angles C4'-P-C4' energy: -115.850
flat angles P-C4'-P energy: -82.960
tors. eta vs tors. theta energy: -98.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1148.319034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.319034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.319034 (E_RNA)
where:
Base-Base interactions energy: -675.424
where: short stacking energy: -334.257
Base-Backbone interact. energy: -2.978
local terms energy: -469.917007
where:
bonds (distance) C4'-P energy: -113.961
bonds (distance) P-C4' energy: -112.338
flat angles C4'-P-C4' energy: -107.800
flat angles P-C4'-P energy: -90.378
tors. eta vs tors. theta energy: -45.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -889.178680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.178680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.178680 (E_RNA)
where:
Base-Base interactions energy: -455.822
where: short stacking energy: -244.007
Base-Backbone interact. energy: -1.527
local terms energy: -431.830053
where:
bonds (distance) C4'-P energy: -110.606
bonds (distance) P-C4' energy: -113.163
flat angles C4'-P-C4' energy: -124.927
flat angles P-C4'-P energy: -63.467
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: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -808.744073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.744073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.744073 (E_RNA)
where:
Base-Base interactions energy: -417.060
where: short stacking energy: -229.495
Base-Backbone interact. energy: 2.362
local terms energy: -394.046208
where:
bonds (distance) C4'-P energy: -96.293
bonds (distance) P-C4' energy: -119.704
flat angles C4'-P-C4' energy: -97.354
flat angles P-C4'-P energy: -71.347
tors. eta vs tors. theta energy: -9.349
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: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -740.199438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.199438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.199438 (E_RNA)
where:
Base-Base interactions energy: -377.153
where: short stacking energy: -216.019
Base-Backbone interact. energy: -1.131
local terms energy: -361.914711
where:
bonds (distance) C4'-P energy: -111.560
bonds (distance) P-C4' energy: -107.263
flat angles C4'-P-C4' energy: -85.637
flat angles P-C4'-P energy: -59.095
tors. eta vs tors. theta energy: 1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2103.059602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.059602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.059602 (E_RNA)
where:
Base-Base interactions energy: -1405.446
where: short stacking energy: -664.506
Base-Backbone interact. energy: -3.884
local terms energy: -693.729298
where:
bonds (distance) C4'-P energy: -127.313
bonds (distance) P-C4' energy: -127.579
flat angles C4'-P-C4' energy: -143.244
flat angles P-C4'-P energy: -100.183
tors. eta vs tors. theta energy: -195.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2004.081048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.081048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.081048 (E_RNA)
where:
Base-Base interactions energy: -1338.402
where: short stacking energy: -603.923
Base-Backbone interact. energy: 1.001
local terms energy: -666.679744
where:
bonds (distance) C4'-P energy: -140.545
bonds (distance) P-C4' energy: -123.306
flat angles C4'-P-C4' energy: -150.381
flat angles P-C4'-P energy: -87.913
tors. eta vs tors. theta energy: -164.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1935.220569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.220569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.220569 (E_RNA)
where:
Base-Base interactions energy: -1299.687
where: short stacking energy: -590.291
Base-Backbone interact. energy: -1.601
local terms energy: -633.932545
where:
bonds (distance) C4'-P energy: -121.755
bonds (distance) P-C4' energy: -117.399
flat angles C4'-P-C4' energy: -134.443
flat angles P-C4'-P energy: -97.747
tors. eta vs tors. theta energy: -162.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1841.082650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.082650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.082650 (E_RNA)
where:
Base-Base interactions energy: -1194.950
where: short stacking energy: -546.815
Base-Backbone interact. energy: 0.855
local terms energy: -646.987751
where:
bonds (distance) C4'-P energy: -124.531
bonds (distance) P-C4' energy: -122.372
flat angles C4'-P-C4' energy: -153.998
flat angles P-C4'-P energy: -90.991
tors. eta vs tors. theta energy: -155.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1674.083665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.083665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.083665 (E_RNA)
where:
Base-Base interactions energy: -1100.485
where: short stacking energy: -491.968
Base-Backbone interact. energy: 0.312
local terms energy: -573.910219
where:
bonds (distance) C4'-P energy: -128.727
bonds (distance) P-C4' energy: -124.501
flat angles C4'-P-C4' energy: -124.477
flat angles P-C4'-P energy: -74.855
tors. eta vs tors. theta energy: -121.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1461.131984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.131984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.131984 (E_RNA)
where:
Base-Base interactions energy: -911.487
where: short stacking energy: -443.909
Base-Backbone interact. energy: -2.015
local terms energy: -547.629856
where:
bonds (distance) C4'-P energy: -108.007
bonds (distance) P-C4' energy: -129.533
flat angles C4'-P-C4' energy: -131.932
flat angles P-C4'-P energy: -74.577
tors. eta vs tors. theta energy: -103.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1144.641799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.641799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.641799 (E_RNA)
where:
Base-Base interactions energy: -698.607
where: short stacking energy: -339.964
Base-Backbone interact. energy: 1.296
local terms energy: -447.330986
where:
bonds (distance) C4'-P energy: -104.515
bonds (distance) P-C4' energy: -102.949
flat angles C4'-P-C4' energy: -107.429
flat angles P-C4'-P energy: -73.902
tors. eta vs tors. theta energy: -58.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -875.933607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.933607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.933607 (E_RNA)
where:
Base-Base interactions energy: -449.069
where: short stacking energy: -232.076
Base-Backbone interact. energy: -1.659
local terms energy: -425.205462
where:
bonds (distance) C4'-P energy: -107.854
bonds (distance) P-C4' energy: -121.990
flat angles C4'-P-C4' energy: -105.400
flat angles P-C4'-P energy: -60.598
tors. eta vs tors. theta energy: -29.365
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: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -770.716922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.716922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.716922 (E_RNA)
where:
Base-Base interactions energy: -399.880
where: short stacking energy: -223.866
Base-Backbone interact. energy: -2.436
local terms energy: -368.401004
where:
bonds (distance) C4'-P energy: -92.404
bonds (distance) P-C4' energy: -102.902
flat angles C4'-P-C4' energy: -106.816
flat angles P-C4'-P energy: -49.104
tors. eta vs tors. theta energy: -17.175
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: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -747.780732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.780732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.780732 (E_RNA)
where:
Base-Base interactions energy: -368.005
where: short stacking energy: -204.445
Base-Backbone interact. energy: 0.241
local terms energy: -380.017383
where:
bonds (distance) C4'-P energy: -94.976
bonds (distance) P-C4' energy: -108.423
flat angles C4'-P-C4' energy: -108.145
flat angles P-C4'-P energy: -74.700
tors. eta vs tors. theta energy: 6.227
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: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2135.152847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.152847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.152847 (E_RNA)
where:
Base-Base interactions energy: -1430.851
where: short stacking energy: -682.570
Base-Backbone interact. energy: 0.007
local terms energy: -704.308114
where:
bonds (distance) C4'-P energy: -142.482
bonds (distance) P-C4' energy: -132.132
flat angles C4'-P-C4' energy: -146.530
flat angles P-C4'-P energy: -92.911
tors. eta vs tors. theta energy: -190.253
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: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2002.489528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.489528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.489528 (E_RNA)
where:
Base-Base interactions energy: -1326.791
where: short stacking energy: -631.300
Base-Backbone interact. energy: 0.269
local terms energy: -675.967462
where:
bonds (distance) C4'-P energy: -131.292
bonds (distance) P-C4' energy: -123.676
flat angles C4'-P-C4' energy: -140.142
flat angles P-C4'-P energy: -93.699
tors. eta vs tors. theta energy: -187.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1917.032596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.032596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.032596 (E_RNA)
where:
Base-Base interactions energy: -1290.818
where: short stacking energy: -570.740
Base-Backbone interact. energy: -3.650
local terms energy: -622.565097
where:
bonds (distance) C4'-P energy: -117.872
bonds (distance) P-C4' energy: -122.011
flat angles C4'-P-C4' energy: -142.400
flat angles P-C4'-P energy: -86.314
tors. eta vs tors. theta energy: -153.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1813.489412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.489412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.489412 (E_RNA)
where:
Base-Base interactions energy: -1171.069
where: short stacking energy: -518.774
Base-Backbone interact. energy: -1.723
local terms energy: -640.697534
where:
bonds (distance) C4'-P energy: -113.132
bonds (distance) P-C4' energy: -133.481
flat angles C4'-P-C4' energy: -147.868
flat angles P-C4'-P energy: -97.575
tors. eta vs tors. theta energy: -148.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1731.948447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.948447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.948447 (E_RNA)
where:
Base-Base interactions energy: -1155.608
where: short stacking energy: -507.499
Base-Backbone interact. energy: 0.657
local terms energy: -576.996891
where:
bonds (distance) C4'-P energy: -102.950
bonds (distance) P-C4' energy: -127.388
flat angles C4'-P-C4' energy: -132.778
flat angles P-C4'-P energy: -81.054
tors. eta vs tors. theta energy: -132.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1454.712488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.712488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.712488 (E_RNA)
where:
Base-Base interactions energy: -912.411
where: short stacking energy: -434.733
Base-Backbone interact. energy: -0.660
local terms energy: -541.641196
where:
bonds (distance) C4'-P energy: -119.041
bonds (distance) P-C4' energy: -101.607
flat angles C4'-P-C4' energy: -116.081
flat angles P-C4'-P energy: -76.643
tors. eta vs tors. theta energy: -128.268
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: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1170.465148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.465148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.465148 (E_RNA)
where:
Base-Base interactions energy: -704.917
where: short stacking energy: -330.583
Base-Backbone interact. energy: 4.629
local terms energy: -470.176734
where:
bonds (distance) C4'-P energy: -103.910
bonds (distance) P-C4' energy: -121.131
flat angles C4'-P-C4' energy: -104.111
flat angles P-C4'-P energy: -78.852
tors. eta vs tors. theta energy: -62.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -907.962782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.962782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.962782 (E_RNA)
where:
Base-Base interactions energy: -508.771
where: short stacking energy: -292.938
Base-Backbone interact. energy: -0.459
local terms energy: -398.733376
where:
bonds (distance) C4'-P energy: -124.768
bonds (distance) P-C4' energy: -109.457
flat angles C4'-P-C4' energy: -96.707
flat angles P-C4'-P energy: -34.800
tors. eta vs tors. theta energy: -33.002
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: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -823.889746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.889746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.889746 (E_RNA)
where:
Base-Base interactions energy: -444.800
where: short stacking energy: -231.695
Base-Backbone interact. energy: 6.926
local terms energy: -386.014943
where:
bonds (distance) C4'-P energy: -104.332
bonds (distance) P-C4' energy: -108.122
flat angles C4'-P-C4' energy: -96.976
flat angles P-C4'-P energy: -61.967
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -759.505230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.505230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.505230 (E_RNA)
where:
Base-Base interactions energy: -379.786
where: short stacking energy: -220.484
Base-Backbone interact. energy: 5.753
local terms energy: -385.472866
where:
bonds (distance) C4'-P energy: -111.052
bonds (distance) P-C4' energy: -109.892
flat angles C4'-P-C4' energy: -92.029
flat angles P-C4'-P energy: -50.346
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2123.605035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.605035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.605035 (E_RNA)
where:
Base-Base interactions energy: -1383.306
where: short stacking energy: -649.310
Base-Backbone interact. energy: -1.319
local terms energy: -738.979981
where:
bonds (distance) C4'-P energy: -133.663
bonds (distance) P-C4' energy: -140.093
flat angles C4'-P-C4' energy: -152.632
flat angles P-C4'-P energy: -104.785
tors. eta vs tors. theta energy: -207.807
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: 67
Temperature: 0.950000
Total energy: -1989.116929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.116929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.116929 (E_RNA)
where:
Base-Base interactions energy: -1313.050
where: short stacking energy: -588.158
Base-Backbone interact. energy: 0.041
local terms energy: -676.107707
where:
bonds (distance) C4'-P energy: -122.405
bonds (distance) P-C4' energy: -133.603
flat angles C4'-P-C4' energy: -148.375
flat angles P-C4'-P energy: -95.081
tors. eta vs tors. theta energy: -176.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1949.834711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.834711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.834711 (E_RNA)
where:
Base-Base interactions energy: -1316.974
where: short stacking energy: -581.424
Base-Backbone interact. energy: -4.051
local terms energy: -628.809456
where:
bonds (distance) C4'-P energy: -109.039
bonds (distance) P-C4' energy: -121.003
flat angles C4'-P-C4' energy: -140.318
flat angles P-C4'-P energy: -86.282
tors. eta vs tors. theta energy: -172.168
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: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1788.141774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.141774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.141774 (E_RNA)
where:
Base-Base interactions energy: -1173.124
where: short stacking energy: -508.151
Base-Backbone interact. energy: 1.011
local terms energy: -616.028855
where:
bonds (distance) C4'-P energy: -124.542
bonds (distance) P-C4' energy: -134.831
flat angles C4'-P-C4' energy: -134.397
flat angles P-C4'-P energy: -93.514
tors. eta vs tors. theta energy: -128.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1760.013714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.013714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.013714 (E_RNA)
where:
Base-Base interactions energy: -1165.729
where: short stacking energy: -510.606
Base-Backbone interact. energy: -1.774
local terms energy: -592.511397
where:
bonds (distance) C4'-P energy: -108.633
bonds (distance) P-C4' energy: -120.976
flat angles C4'-P-C4' energy: -135.448
flat angles P-C4'-P energy: -74.035
tors. eta vs tors. theta energy: -153.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1479.627188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.627188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.627188 (E_RNA)
where:
Base-Base interactions energy: -950.307
where: short stacking energy: -444.152
Base-Backbone interact. energy: -0.170
local terms energy: -529.150072
where:
bonds (distance) C4'-P energy: -95.029
bonds (distance) P-C4' energy: -127.979
flat angles C4'-P-C4' energy: -114.660
flat angles P-C4'-P energy: -77.500
tors. eta vs tors. theta energy: -113.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1222.474979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.474979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.474979 (E_RNA)
where:
Base-Base interactions energy: -780.732
where: short stacking energy: -382.945
Base-Backbone interact. energy: 5.505
local terms energy: -447.247504
where:
bonds (distance) C4'-P energy: -105.174
bonds (distance) P-C4' energy: -119.134
flat angles C4'-P-C4' energy: -99.605
flat angles P-C4'-P energy: -64.036
tors. eta vs tors. theta energy: -59.298
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: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -932.890015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.890015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.890015 (E_RNA)
where:
Base-Base interactions energy: -503.347
where: short stacking energy: -275.012
Base-Backbone interact. energy: 2.495
local terms energy: -432.038244
where:
bonds (distance) C4'-P energy: -98.153
bonds (distance) P-C4' energy: -119.984
flat angles C4'-P-C4' energy: -110.465
flat angles P-C4'-P energy: -72.744
tors. eta vs tors. theta energy: -30.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -840.130777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.130777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.130777 (E_RNA)
where:
Base-Base interactions energy: -459.764
where: short stacking energy: -219.066
Base-Backbone interact. energy: 2.912
local terms energy: -383.279016
where:
bonds (distance) C4'-P energy: -102.946
bonds (distance) P-C4' energy: -101.215
flat angles C4'-P-C4' energy: -108.979
flat angles P-C4'-P energy: -60.714
tors. eta vs tors. theta energy: -9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -741.791766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.791766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.791766 (E_RNA)
where:
Base-Base interactions energy: -349.746
where: short stacking energy: -208.932
Base-Backbone interact. energy: 6.816
local terms energy: -398.861569
where:
bonds (distance) C4'-P energy: -116.772
bonds (distance) P-C4' energy: -115.884
flat angles C4'-P-C4' energy: -100.255
flat angles P-C4'-P energy: -63.917
tors. eta vs tors. theta energy: -2.033
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: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2116.759683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.759683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.759683 (E_RNA)
where:
Base-Base interactions energy: -1397.138
where: short stacking energy: -659.391
Base-Backbone interact. energy: -2.190
local terms energy: -717.431674
where:
bonds (distance) C4'-P energy: -133.337
bonds (distance) P-C4' energy: -142.351
flat angles C4'-P-C4' energy: -152.690
flat angles P-C4'-P energy: -92.244
tors. eta vs tors. theta energy: -196.809
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: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2009.069312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.069312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.069312 (E_RNA)
where:
Base-Base interactions energy: -1309.832
where: short stacking energy: -608.686
Base-Backbone interact. energy: 0.415
local terms energy: -699.651813
where:
bonds (distance) C4'-P energy: -134.400
bonds (distance) P-C4' energy: -134.225
flat angles C4'-P-C4' energy: -136.979
flat angles P-C4'-P energy: -108.297
tors. eta vs tors. theta energy: -185.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1962.825859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.825859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.825859 (E_RNA)
where:
Base-Base interactions energy: -1296.938
where: short stacking energy: -562.640
Base-Backbone interact. energy: -3.010
local terms energy: -662.877512
where:
bonds (distance) C4'-P energy: -134.102
bonds (distance) P-C4' energy: -134.655
flat angles C4'-P-C4' energy: -140.287
flat angles P-C4'-P energy: -87.492
tors. eta vs tors. theta energy: -166.342
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: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1796.870100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.870100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.870100 (E_RNA)
where:
Base-Base interactions energy: -1200.335
where: short stacking energy: -512.700
Base-Backbone interact. energy: 4.007
local terms energy: -600.541757
where:
bonds (distance) C4'-P energy: -121.785
bonds (distance) P-C4' energy: -135.482
flat angles C4'-P-C4' energy: -132.220
flat angles P-C4'-P energy: -76.999
tors. eta vs tors. theta energy: -134.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1756.874036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.874036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.874036 (E_RNA)
where:
Base-Base interactions energy: -1157.369
where: short stacking energy: -540.045
Base-Backbone interact. energy: 0.937
local terms energy: -600.441455
where:
bonds (distance) C4'-P energy: -118.583
bonds (distance) P-C4' energy: -120.978
flat angles C4'-P-C4' energy: -138.018
flat angles P-C4'-P energy: -76.868
tors. eta vs tors. theta energy: -145.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1497.130147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.130147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.130147 (E_RNA)
where:
Base-Base interactions energy: -982.823
where: short stacking energy: -429.664
Base-Backbone interact. energy: -2.953
local terms energy: -511.353515
where:
bonds (distance) C4'-P energy: -102.188
bonds (distance) P-C4' energy: -114.735
flat angles C4'-P-C4' energy: -120.976
flat angles P-C4'-P energy: -70.344
tors. eta vs tors. theta energy: -103.109
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: 68
Temperature: 1.200000
Total energy: -1254.578194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.578194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.578194 (E_RNA)
where:
Base-Base interactions energy: -768.555
where: short stacking energy: -368.281
Base-Backbone interact. energy: 3.090
local terms energy: -489.113646
where:
bonds (distance) C4'-P energy: -125.394
bonds (distance) P-C4' energy: -100.179
flat angles C4'-P-C4' energy: -116.344
flat angles P-C4'-P energy: -68.104
tors. eta vs tors. theta energy: -79.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -941.098367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.098367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.098367 (E_RNA)
where:
Base-Base interactions energy: -553.371
where: short stacking energy: -276.643
Base-Backbone interact. energy: 4.196
local terms energy: -391.922997
where:
bonds (distance) C4'-P energy: -85.939
bonds (distance) P-C4' energy: -112.101
flat angles C4'-P-C4' energy: -107.079
flat angles P-C4'-P energy: -64.365
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -825.612295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.612295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.612295 (E_RNA)
where:
Base-Base interactions energy: -445.989
where: short stacking energy: -233.349
Base-Backbone interact. energy: 0.971
local terms energy: -380.595102
where:
bonds (distance) C4'-P energy: -111.925
bonds (distance) P-C4' energy: -100.846
flat angles C4'-P-C4' energy: -99.139
flat angles P-C4'-P energy: -61.430
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -717.294433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.294433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.294433 (E_RNA)
where:
Base-Base interactions energy: -372.167
where: short stacking energy: -206.591
Base-Backbone interact. energy: 3.461
local terms energy: -348.587871
where:
bonds (distance) C4'-P energy: -105.772
bonds (distance) P-C4' energy: -93.890
flat angles C4'-P-C4' energy: -95.199
flat angles P-C4'-P energy: -57.435
tors. eta vs tors. theta energy: 3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2155.291280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.291280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.291280 (E_RNA)
where:
Base-Base interactions energy: -1421.717
where: short stacking energy: -703.456
Base-Backbone interact. energy: -2.873
local terms energy: -730.701304
where:
bonds (distance) C4'-P energy: -131.060
bonds (distance) P-C4' energy: -133.463
flat angles C4'-P-C4' energy: -157.957
flat angles P-C4'-P energy: -100.749
tors. eta vs tors. theta energy: -207.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2049.075785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.075785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.075785 (E_RNA)
where:
Base-Base interactions energy: -1391.480
where: short stacking energy: -614.060
Base-Backbone interact. energy: 0.440
local terms energy: -658.035287
where:
bonds (distance) C4'-P energy: -134.148
bonds (distance) P-C4' energy: -143.234
flat angles C4'-P-C4' energy: -135.150
flat angles P-C4'-P energy: -77.226
tors. eta vs tors. theta energy: -168.276
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: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1915.802060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.802060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.802060 (E_RNA)
where:
Base-Base interactions energy: -1292.127
where: short stacking energy: -583.597
Base-Backbone interact. energy: 3.193
local terms energy: -626.868214
where:
bonds (distance) C4'-P energy: -126.724
bonds (distance) P-C4' energy: -124.261
flat angles C4'-P-C4' energy: -134.738
flat angles P-C4'-P energy: -65.790
tors. eta vs tors. theta energy: -175.355
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: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1824.017874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.017874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.017874 (E_RNA)
where:
Base-Base interactions energy: -1242.275
where: short stacking energy: -539.904
Base-Backbone interact. energy: 5.878
local terms energy: -587.620512
where:
bonds (distance) C4'-P energy: -102.084
bonds (distance) P-C4' energy: -128.123
flat angles C4'-P-C4' energy: -124.637
flat angles P-C4'-P energy: -88.281
tors. eta vs tors. theta energy: -144.495
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: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1761.751316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.751316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.751316 (E_RNA)
where:
Base-Base interactions energy: -1162.320
where: short stacking energy: -556.252
Base-Backbone interact. energy: -2.362
local terms energy: -597.068961
where:
bonds (distance) C4'-P energy: -105.725
bonds (distance) P-C4' energy: -106.620
flat angles C4'-P-C4' energy: -141.952
flat angles P-C4'-P energy: -84.154
tors. eta vs tors. theta energy: -158.618
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: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1440.414013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.414013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.414013 (E_RNA)
where:
Base-Base interactions energy: -899.660
where: short stacking energy: -427.376
Base-Backbone interact. energy: 1.383
local terms energy: -542.137386
where:
bonds (distance) C4'-P energy: -99.186
bonds (distance) P-C4' energy: -113.787
flat angles C4'-P-C4' energy: -130.350
flat angles P-C4'-P energy: -94.209
tors. eta vs tors. theta energy: -104.606
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: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1263.171643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.171643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.171643 (E_RNA)
where:
Base-Base interactions energy: -786.014
where: short stacking energy: -379.731
Base-Backbone interact. energy: -0.046
local terms energy: -477.111425
where:
bonds (distance) C4'-P energy: -116.261
bonds (distance) P-C4' energy: -106.202
flat angles C4'-P-C4' energy: -103.321
flat angles P-C4'-P energy: -86.495
tors. eta vs tors. theta energy: -64.832
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: 69
Temperature: 1.250000
Total energy: -911.034685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.034685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.034685 (E_RNA)
where:
Base-Base interactions energy: -489.019
where: short stacking energy: -253.600
Base-Backbone interact. energy: 1.082
local terms energy: -423.097616
where:
bonds (distance) C4'-P energy: -97.641
bonds (distance) P-C4' energy: -117.577
flat angles C4'-P-C4' energy: -116.664
flat angles P-C4'-P energy: -65.598
tors. eta vs tors. theta energy: -25.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -799.662160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.662160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.662160 (E_RNA)
where:
Base-Base interactions energy: -401.489
where: short stacking energy: -199.208
Base-Backbone interact. energy: -2.992
local terms energy: -395.181062
where:
bonds (distance) C4'-P energy: -104.014
bonds (distance) P-C4' energy: -128.421
flat angles C4'-P-C4' energy: -88.049
flat angles P-C4'-P energy: -58.072
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -725.293479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.293479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.293479 (E_RNA)
where:
Base-Base interactions energy: -345.283
where: short stacking energy: -211.472
Base-Backbone interact. energy: -2.163
local terms energy: -377.846959
where:
bonds (distance) C4'-P energy: -107.443
bonds (distance) P-C4' energy: -109.783
flat angles C4'-P-C4' energy: -103.566
flat angles P-C4'-P energy: -61.351
tors. eta vs tors. theta energy: 4.296
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: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2103.208586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.208586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.208586 (E_RNA)
where:
Base-Base interactions energy: -1407.222
where: short stacking energy: -626.521
Base-Backbone interact. energy: -5.797
local terms energy: -690.190112
where:
bonds (distance) C4'-P energy: -126.717
bonds (distance) P-C4' energy: -131.885
flat angles C4'-P-C4' energy: -150.215
flat angles P-C4'-P energy: -87.413
tors. eta vs tors. theta energy: -193.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2057.187302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.187302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.187302 (E_RNA)
where:
Base-Base interactions energy: -1393.480
where: short stacking energy: -635.762
Base-Backbone interact. energy: -1.986
local terms energy: -661.721066
where:
bonds (distance) C4'-P energy: -121.827
bonds (distance) P-C4' energy: -125.287
flat angles C4'-P-C4' energy: -150.489
flat angles P-C4'-P energy: -84.552
tors. eta vs tors. theta energy: -179.566
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: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1959.516534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.516534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.516534 (E_RNA)
where:
Base-Base interactions energy: -1272.755
where: short stacking energy: -604.384
Base-Backbone interact. energy: -3.146
local terms energy: -683.614601
where:
bonds (distance) C4'-P energy: -132.077
bonds (distance) P-C4' energy: -135.503
flat angles C4'-P-C4' energy: -144.163
flat angles P-C4'-P energy: -87.384
tors. eta vs tors. theta energy: -184.488
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: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1865.945255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.945255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.945255 (E_RNA)
where:
Base-Base interactions energy: -1228.558
where: short stacking energy: -577.769
Base-Backbone interact. energy: 1.218
local terms energy: -638.605105
where:
bonds (distance) C4'-P energy: -126.179
bonds (distance) P-C4' energy: -114.806
flat angles C4'-P-C4' energy: -145.539
flat angles P-C4'-P energy: -98.433
tors. eta vs tors. theta energy: -153.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1713.705149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.705149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.705149 (E_RNA)
where:
Base-Base interactions energy: -1094.500
where: short stacking energy: -492.135
Base-Backbone interact. energy: -1.659
local terms energy: -617.545725
where:
bonds (distance) C4'-P energy: -130.479
bonds (distance) P-C4' energy: -113.242
flat angles C4'-P-C4' energy: -140.400
flat angles P-C4'-P energy: -89.788
tors. eta vs tors. theta energy: -143.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1410.612485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.612485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.612485 (E_RNA)
where:
Base-Base interactions energy: -883.023
where: short stacking energy: -438.619
Base-Backbone interact. energy: 0.365
local terms energy: -527.954231
where:
bonds (distance) C4'-P energy: -102.668
bonds (distance) P-C4' energy: -115.233
flat angles C4'-P-C4' energy: -129.922
flat angles P-C4'-P energy: -80.095
tors. eta vs tors. theta energy: -100.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1287.868178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.868178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.868178 (E_RNA)
where:
Base-Base interactions energy: -806.147
where: short stacking energy: -381.883
Base-Backbone interact. energy: 2.158
local terms energy: -483.878684
where:
bonds (distance) C4'-P energy: -129.620
bonds (distance) P-C4' energy: -115.491
flat angles C4'-P-C4' energy: -98.499
flat angles P-C4'-P energy: -65.196
tors. eta vs tors. theta energy: -75.072
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: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -985.794775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.794775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.794775 (E_RNA)
where:
Base-Base interactions energy: -554.075
where: short stacking energy: -299.828
Base-Backbone interact. energy: 3.932
local terms energy: -435.650933
where:
bonds (distance) C4'-P energy: -107.589
bonds (distance) P-C4' energy: -114.912
flat angles C4'-P-C4' energy: -116.154
flat angles P-C4'-P energy: -61.269
tors. eta vs tors. theta energy: -35.728
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: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -831.655684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.655684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.655684 (E_RNA)
where:
Base-Base interactions energy: -439.601
where: short stacking energy: -227.503
Base-Backbone interact. energy: -1.036
local terms energy: -391.018952
where:
bonds (distance) C4'-P energy: -104.200
bonds (distance) P-C4' energy: -120.055
flat angles C4'-P-C4' energy: -104.093
flat angles P-C4'-P energy: -52.971
tors. eta vs tors. theta energy: -9.700
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: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -749.465204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.465204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.465204 (E_RNA)
where:
Base-Base interactions energy: -378.291
where: short stacking energy: -226.189
Base-Backbone interact. energy: -1.421
local terms energy: -369.752644
where:
bonds (distance) C4'-P energy: -105.648
bonds (distance) P-C4' energy: -99.844
flat angles C4'-P-C4' energy: -88.742
flat angles P-C4'-P energy: -62.277
tors. eta vs tors. theta energy: -13.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2074.472144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.472144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.472144 (E_RNA)
where:
Base-Base interactions energy: -1368.524
where: short stacking energy: -602.738
Base-Backbone interact. energy: -6.662
local terms energy: -699.286026
where:
bonds (distance) C4'-P energy: -137.309
bonds (distance) P-C4' energy: -128.718
flat angles C4'-P-C4' energy: -155.223
flat angles P-C4'-P energy: -100.281
tors. eta vs tors. theta energy: -177.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2048.554763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.554763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.554763 (E_RNA)
where:
Base-Base interactions energy: -1387.666
where: short stacking energy: -621.594
Base-Backbone interact. energy: -1.571
local terms energy: -659.317625
where:
bonds (distance) C4'-P energy: -116.763
bonds (distance) P-C4' energy: -125.462
flat angles C4'-P-C4' energy: -145.064
flat angles P-C4'-P energy: -88.613
tors. eta vs tors. theta energy: -183.416
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: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1959.288502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.288502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.288502 (E_RNA)
where:
Base-Base interactions energy: -1319.988
where: short stacking energy: -587.215
Base-Backbone interact. energy: -1.029
local terms energy: -638.271043
where:
bonds (distance) C4'-P energy: -115.370
bonds (distance) P-C4' energy: -116.955
flat angles C4'-P-C4' energy: -148.955
flat angles P-C4'-P energy: -99.703
tors. eta vs tors. theta energy: -157.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1866.776274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.776274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.776274 (E_RNA)
where:
Base-Base interactions energy: -1250.086
where: short stacking energy: -547.038
Base-Backbone interact. energy: 2.774
local terms energy: -619.464373
where:
bonds (distance) C4'-P energy: -129.533
bonds (distance) P-C4' energy: -126.893
flat angles C4'-P-C4' energy: -136.686
flat angles P-C4'-P energy: -83.559
tors. eta vs tors. theta energy: -142.793
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: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1743.128881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.128881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.128881 (E_RNA)
where:
Base-Base interactions energy: -1129.390
where: short stacking energy: -530.688
Base-Backbone interact. energy: 1.783
local terms energy: -615.521507
where:
bonds (distance) C4'-P energy: -114.885
bonds (distance) P-C4' energy: -111.617
flat angles C4'-P-C4' energy: -143.696
flat angles P-C4'-P energy: -101.822
tors. eta vs tors. theta energy: -143.502
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: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1442.366277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.366277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.366277 (E_RNA)
where:
Base-Base interactions energy: -911.387
where: short stacking energy: -436.654
Base-Backbone interact. energy: 1.042
local terms energy: -532.021506
where:
bonds (distance) C4'-P energy: -112.196
bonds (distance) P-C4' energy: -113.682
flat angles C4'-P-C4' energy: -116.718
flat angles P-C4'-P energy: -73.820
tors. eta vs tors. theta energy: -115.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1246.451730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.451730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.451730 (E_RNA)
where:
Base-Base interactions energy: -747.318
where: short stacking energy: -358.872
Base-Backbone interact. energy: 0.383
local terms energy: -499.517208
where:
bonds (distance) C4'-P energy: -108.543
bonds (distance) P-C4' energy: -112.283
flat angles C4'-P-C4' energy: -123.382
flat angles P-C4'-P energy: -70.868
tors. eta vs tors. theta energy: -84.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -959.202486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.202486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.202486 (E_RNA)
where:
Base-Base interactions energy: -528.955
where: short stacking energy: -285.145
Base-Backbone interact. energy: -2.291
local terms energy: -427.955894
where:
bonds (distance) C4'-P energy: -116.598
bonds (distance) P-C4' energy: -109.227
flat angles C4'-P-C4' energy: -109.787
flat angles P-C4'-P energy: -67.810
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -816.830433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.830433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.830433 (E_RNA)
where:
Base-Base interactions energy: -412.829
where: short stacking energy: -233.818
Base-Backbone interact. energy: 4.252
local terms energy: -408.253803
where:
bonds (distance) C4'-P energy: -108.715
bonds (distance) P-C4' energy: -111.550
flat angles C4'-P-C4' energy: -102.095
flat angles P-C4'-P energy: -68.679
tors. eta vs tors. theta energy: -17.216
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: 71
Temperature: 1.350000
Total energy: -716.875396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.875396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.875396 (E_RNA)
where:
Base-Base interactions energy: -354.287
where: short stacking energy: -222.643
Base-Backbone interact. energy: -2.145
local terms energy: -360.442853
where:
bonds (distance) C4'-P energy: -104.921
bonds (distance) P-C4' energy: -98.075
flat angles C4'-P-C4' energy: -102.312
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -7.460
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: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2073.437245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.437245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.437245 (E_RNA)
where:
Base-Base interactions energy: -1367.625
where: short stacking energy: -613.377
Base-Backbone interact. energy: -1.810
local terms energy: -704.002367
where:
bonds (distance) C4'-P energy: -131.915
bonds (distance) P-C4' energy: -132.082
flat angles C4'-P-C4' energy: -151.373
flat angles P-C4'-P energy: -102.317
tors. eta vs tors. theta energy: -186.315
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: 72
Temperature: 0.950000
Total energy: -2057.498085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.498085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.498085 (E_RNA)
where:
Base-Base interactions energy: -1384.207
where: short stacking energy: -601.160
Base-Backbone interact. energy: -2.208
local terms energy: -671.083317
where:
bonds (distance) C4'-P energy: -118.483
bonds (distance) P-C4' energy: -121.553
flat angles C4'-P-C4' energy: -153.136
flat angles P-C4'-P energy: -93.520
tors. eta vs tors. theta energy: -184.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1968.165148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.165148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.165148 (E_RNA)
where:
Base-Base interactions energy: -1327.475
where: short stacking energy: -587.448
Base-Backbone interact. energy: -1.763
local terms energy: -638.927308
where:
bonds (distance) C4'-P energy: -117.684
bonds (distance) P-C4' energy: -129.651
flat angles C4'-P-C4' energy: -134.987
flat angles P-C4'-P energy: -78.243
tors. eta vs tors. theta energy: -178.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1871.469400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.469400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.469400 (E_RNA)
where:
Base-Base interactions energy: -1264.084
where: short stacking energy: -542.229
Base-Backbone interact. energy: -3.355
local terms energy: -604.030101
where:
bonds (distance) C4'-P energy: -107.992
bonds (distance) P-C4' energy: -126.552
flat angles C4'-P-C4' energy: -126.795
flat angles P-C4'-P energy: -96.422
tors. eta vs tors. theta energy: -146.269
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: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1783.590855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.590855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.590855 (E_RNA)
where:
Base-Base interactions energy: -1179.805
where: short stacking energy: -531.895
Base-Backbone interact. energy: 0.643
local terms energy: -604.429039
where:
bonds (distance) C4'-P energy: -129.308
bonds (distance) P-C4' energy: -129.305
flat angles C4'-P-C4' energy: -129.971
flat angles P-C4'-P energy: -70.531
tors. eta vs tors. theta energy: -145.315
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: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1426.306850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.306850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.306850 (E_RNA)
where:
Base-Base interactions energy: -905.594
where: short stacking energy: -411.712
Base-Backbone interact. energy: -3.421
local terms energy: -517.292092
where:
bonds (distance) C4'-P energy: -110.773
bonds (distance) P-C4' energy: -98.507
flat angles C4'-P-C4' energy: -128.383
flat angles P-C4'-P energy: -66.963
tors. eta vs tors. theta energy: -112.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1243.456775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.456775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.456775 (E_RNA)
where:
Base-Base interactions energy: -741.041
where: short stacking energy: -349.004
Base-Backbone interact. energy: -2.144
local terms energy: -500.271881
where:
bonds (distance) C4'-P energy: -100.303
bonds (distance) P-C4' energy: -123.226
flat angles C4'-P-C4' energy: -127.111
flat angles P-C4'-P energy: -85.710
tors. eta vs tors. theta energy: -63.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -953.184499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.184499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.184499 (E_RNA)
where:
Base-Base interactions energy: -523.815
where: short stacking energy: -299.197
Base-Backbone interact. energy: 2.126
local terms energy: -431.495839
where:
bonds (distance) C4'-P energy: -106.249
bonds (distance) P-C4' energy: -115.367
flat angles C4'-P-C4' energy: -104.858
flat angles P-C4'-P energy: -57.392
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: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -796.725991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.725991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.725991 (E_RNA)
where:
Base-Base interactions energy: -394.746
where: short stacking energy: -222.238
Base-Backbone interact. energy: -1.258
local terms energy: -400.721914
where:
bonds (distance) C4'-P energy: -108.490
bonds (distance) P-C4' energy: -103.442
flat angles C4'-P-C4' energy: -100.470
flat angles P-C4'-P energy: -55.560
tors. eta vs tors. theta energy: -32.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -767.030513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.030513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.030513 (E_RNA)
where:
Base-Base interactions energy: -400.631
where: short stacking energy: -235.877
Base-Backbone interact. energy: -0.104
local terms energy: -366.295705
where:
bonds (distance) C4'-P energy: -97.601
bonds (distance) P-C4' energy: -103.638
flat angles C4'-P-C4' energy: -94.476
flat angles P-C4'-P energy: -66.126
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2087.282308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.282308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.282308 (E_RNA)
where:
Base-Base interactions energy: -1371.951
where: short stacking energy: -621.205
Base-Backbone interact. energy: -1.719
local terms energy: -713.612306
where:
bonds (distance) C4'-P energy: -136.994
bonds (distance) P-C4' energy: -139.304
flat angles C4'-P-C4' energy: -148.149
flat angles P-C4'-P energy: -98.968
tors. eta vs tors. theta energy: -190.197
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: 73
Temperature: 0.950000
Total energy: -2064.279500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.279500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.279500 (E_RNA)
where:
Base-Base interactions energy: -1377.556
where: short stacking energy: -608.244
Base-Backbone interact. energy: 0.932
local terms energy: -687.655813
where:
bonds (distance) C4'-P energy: -127.495
bonds (distance) P-C4' energy: -135.250
flat angles C4'-P-C4' energy: -149.956
flat angles P-C4'-P energy: -89.458
tors. eta vs tors. theta energy: -185.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1965.015138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.015138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.015138 (E_RNA)
where:
Base-Base interactions energy: -1311.700
where: short stacking energy: -587.344
Base-Backbone interact. energy: 1.889
local terms energy: -655.204257
where:
bonds (distance) C4'-P energy: -126.215
bonds (distance) P-C4' energy: -128.159
flat angles C4'-P-C4' energy: -142.015
flat angles P-C4'-P energy: -92.497
tors. eta vs tors. theta energy: -166.320
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: 73
Temperature: 1.050000
Total energy: -1865.314126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.314126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.314126 (E_RNA)
where:
Base-Base interactions energy: -1271.609
where: short stacking energy: -528.726
Base-Backbone interact. energy: -2.279
local terms energy: -591.426853
where:
bonds (distance) C4'-P energy: -127.940
bonds (distance) P-C4' energy: -124.479
flat angles C4'-P-C4' energy: -134.567
flat angles P-C4'-P energy: -73.923
tors. eta vs tors. theta energy: -130.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1706.508859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.508859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.508859 (E_RNA)
where:
Base-Base interactions energy: -1108.165
where: short stacking energy: -513.408
Base-Backbone interact. energy: 0.214
local terms energy: -598.558172
where:
bonds (distance) C4'-P energy: -116.877
bonds (distance) P-C4' energy: -123.960
flat angles C4'-P-C4' energy: -127.308
flat angles P-C4'-P energy: -89.747
tors. eta vs tors. theta energy: -140.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1407.761236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.761236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.761236 (E_RNA)
where:
Base-Base interactions energy: -914.107
where: short stacking energy: -428.116
Base-Backbone interact. energy: 0.751
local terms energy: -494.404386
where:
bonds (distance) C4'-P energy: -109.120
bonds (distance) P-C4' energy: -112.920
flat angles C4'-P-C4' energy: -110.611
flat angles P-C4'-P energy: -65.203
tors. eta vs tors. theta energy: -96.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1167.819609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.819609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.819609 (E_RNA)
where:
Base-Base interactions energy: -729.170
where: short stacking energy: -348.935
Base-Backbone interact. energy: -0.529
local terms energy: -438.120271
where:
bonds (distance) C4'-P energy: -114.825
bonds (distance) P-C4' energy: -105.741
flat angles C4'-P-C4' energy: -105.682
flat angles P-C4'-P energy: -56.003
tors. eta vs tors. theta energy: -55.869
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: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -962.337745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.337745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.337745 (E_RNA)
where:
Base-Base interactions energy: -555.910
where: short stacking energy: -268.517
Base-Backbone interact. energy: 7.025
local terms energy: -413.452521
where:
bonds (distance) C4'-P energy: -117.215
bonds (distance) P-C4' energy: -120.241
flat angles C4'-P-C4' energy: -108.804
flat angles P-C4'-P energy: -48.180
tors. eta vs tors. theta energy: -19.013
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: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -781.448834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.448834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.448834 (E_RNA)
where:
Base-Base interactions energy: -395.042
where: short stacking energy: -201.596
Base-Backbone interact. energy: -0.242
local terms energy: -386.164901
where:
bonds (distance) C4'-P energy: -98.644
bonds (distance) P-C4' energy: -107.424
flat angles C4'-P-C4' energy: -119.043
flat angles P-C4'-P energy: -56.750
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -760.830142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.830142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.830142 (E_RNA)
where:
Base-Base interactions energy: -381.655
where: short stacking energy: -194.789
Base-Backbone interact. energy: -1.215
local terms energy: -377.960718
where:
bonds (distance) C4'-P energy: -99.632
bonds (distance) P-C4' energy: -104.027
flat angles C4'-P-C4' energy: -102.124
flat angles P-C4'-P energy: -59.661
tors. eta vs tors. theta energy: -12.516
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: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2070.290362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.290362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.290362 (E_RNA)
where:
Base-Base interactions energy: -1389.261
where: short stacking energy: -619.331
Base-Backbone interact. energy: 1.612
local terms energy: -682.641567
where:
bonds (distance) C4'-P energy: -135.632
bonds (distance) P-C4' energy: -136.187
flat angles C4'-P-C4' energy: -149.783
flat angles P-C4'-P energy: -101.388
tors. eta vs tors. theta energy: -159.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2049.630924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.630924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.630924 (E_RNA)
where:
Base-Base interactions energy: -1392.213
where: short stacking energy: -576.419
Base-Backbone interact. energy: -3.933
local terms energy: -653.485678
where:
bonds (distance) C4'-P energy: -126.503
bonds (distance) P-C4' energy: -121.277
flat angles C4'-P-C4' energy: -149.253
flat angles P-C4'-P energy: -89.363
tors. eta vs tors. theta energy: -167.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1951.134641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.134641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.134641 (E_RNA)
where:
Base-Base interactions energy: -1309.859
where: short stacking energy: -593.470
Base-Backbone interact. energy: 2.819
local terms energy: -644.094728
where:
bonds (distance) C4'-P energy: -120.532
bonds (distance) P-C4' energy: -135.801
flat angles C4'-P-C4' energy: -139.514
flat angles P-C4'-P energy: -90.620
tors. eta vs tors. theta energy: -157.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1906.248054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.248054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.248054 (E_RNA)
where:
Base-Base interactions energy: -1276.586
where: short stacking energy: -549.785
Base-Backbone interact. energy: -1.835
local terms energy: -627.827652
where:
bonds (distance) C4'-P energy: -124.903
bonds (distance) P-C4' energy: -114.667
flat angles C4'-P-C4' energy: -143.143
flat angles P-C4'-P energy: -80.072
tors. eta vs tors. theta energy: -165.043
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: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1690.522041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.522041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.522041 (E_RNA)
where:
Base-Base interactions energy: -1083.136
where: short stacking energy: -511.237
Base-Backbone interact. energy: -1.206
local terms energy: -606.180361
where:
bonds (distance) C4'-P energy: -119.352
bonds (distance) P-C4' energy: -116.959
flat angles C4'-P-C4' energy: -137.451
flat angles P-C4'-P energy: -87.878
tors. eta vs tors. theta energy: -144.541
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: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1424.848338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.848338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.848338 (E_RNA)
where:
Base-Base interactions energy: -864.912
where: short stacking energy: -421.076
Base-Backbone interact. energy: -0.549
local terms energy: -559.387777
where:
bonds (distance) C4'-P energy: -118.582
bonds (distance) P-C4' energy: -120.252
flat angles C4'-P-C4' energy: -116.949
flat angles P-C4'-P energy: -79.937
tors. eta vs tors. theta energy: -123.668
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: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1279.591803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.591803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.591803 (E_RNA)
where:
Base-Base interactions energy: -790.385
where: short stacking energy: -369.609
Base-Backbone interact. energy: 2.294
local terms energy: -491.501261
where:
bonds (distance) C4'-P energy: -119.592
bonds (distance) P-C4' energy: -121.926
flat angles C4'-P-C4' energy: -125.026
flat angles P-C4'-P energy: -60.837
tors. eta vs tors. theta energy: -64.120
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: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1021.593807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.593807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.593807 (E_RNA)
where:
Base-Base interactions energy: -605.441
where: short stacking energy: -291.470
Base-Backbone interact. energy: 3.132
local terms energy: -419.284593
where:
bonds (distance) C4'-P energy: -109.799
bonds (distance) P-C4' energy: -118.467
flat angles C4'-P-C4' energy: -92.643
flat angles P-C4'-P energy: -68.059
tors. eta vs tors. theta energy: -30.317
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: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -810.320240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.320240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.320240 (E_RNA)
where:
Base-Base interactions energy: -415.954
where: short stacking energy: -220.854
Base-Backbone interact. energy: 0.253
local terms energy: -394.619428
where:
bonds (distance) C4'-P energy: -107.637
bonds (distance) P-C4' energy: -122.185
flat angles C4'-P-C4' energy: -101.024
flat angles P-C4'-P energy: -59.987
tors. eta vs tors. theta energy: -3.787
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: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -687.928205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.928205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.928205 (E_RNA)
where:
Base-Base interactions energy: -365.977
where: short stacking energy: -190.648
Base-Backbone interact. energy: 6.480
local terms energy: -328.431281
where:
bonds (distance) C4'-P energy: -96.111
bonds (distance) P-C4' energy: -104.136
flat angles C4'-P-C4' energy: -100.130
flat angles P-C4'-P energy: -52.821
tors. eta vs tors. theta energy: 24.766
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: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2077.556045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.556045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.556045 (E_RNA)
where:
Base-Base interactions energy: -1369.076
where: short stacking energy: -605.346
Base-Backbone interact. energy: -3.337
local terms energy: -705.142849
where:
bonds (distance) C4'-P energy: -133.311
bonds (distance) P-C4' energy: -139.015
flat angles C4'-P-C4' energy: -151.548
flat angles P-C4'-P energy: -102.074
tors. eta vs tors. theta energy: -179.195
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: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2054.996660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.996660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.996660 (E_RNA)
where:
Base-Base interactions energy: -1380.062
where: short stacking energy: -610.893
Base-Backbone interact. energy: -3.602
local terms energy: -671.332520
where:
bonds (distance) C4'-P energy: -122.531
bonds (distance) P-C4' energy: -122.014
flat angles C4'-P-C4' energy: -151.183
flat angles P-C4'-P energy: -95.033
tors. eta vs tors. theta energy: -180.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1967.713251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.713251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.713251 (E_RNA)
where:
Base-Base interactions energy: -1337.822
where: short stacking energy: -586.798
Base-Backbone interact. energy: -0.080
local terms energy: -629.811627
where:
bonds (distance) C4'-P energy: -124.393
bonds (distance) P-C4' energy: -136.084
flat angles C4'-P-C4' energy: -134.916
flat angles P-C4'-P energy: -81.232
tors. eta vs tors. theta energy: -153.187
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: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1884.888819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.888819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.888819 (E_RNA)
where:
Base-Base interactions energy: -1275.686
where: short stacking energy: -538.220
Base-Backbone interact. energy: -3.834
local terms energy: -605.369597
where:
bonds (distance) C4'-P energy: -116.175
bonds (distance) P-C4' energy: -120.970
flat angles C4'-P-C4' energy: -130.082
flat angles P-C4'-P energy: -96.869
tors. eta vs tors. theta energy: -141.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1718.761540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.761540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.761540 (E_RNA)
where:
Base-Base interactions energy: -1155.749
where: short stacking energy: -527.978
Base-Backbone interact. energy: -0.880
local terms energy: -562.132974
where:
bonds (distance) C4'-P energy: -98.055
bonds (distance) P-C4' energy: -121.752
flat angles C4'-P-C4' energy: -129.470
flat angles P-C4'-P energy: -80.731
tors. eta vs tors. theta energy: -132.125
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: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1449.902020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.902020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.902020 (E_RNA)
where:
Base-Base interactions energy: -922.412
where: short stacking energy: -423.400
Base-Backbone interact. energy: 1.057
local terms energy: -528.547038
where:
bonds (distance) C4'-P energy: -101.374
bonds (distance) P-C4' energy: -115.392
flat angles C4'-P-C4' energy: -135.999
flat angles P-C4'-P energy: -82.673
tors. eta vs tors. theta energy: -93.110
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: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1214.564811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.564811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.564811 (E_RNA)
where:
Base-Base interactions energy: -733.191
where: short stacking energy: -350.946
Base-Backbone interact. energy: -3.548
local terms energy: -477.825787
where:
bonds (distance) C4'-P energy: -104.378
bonds (distance) P-C4' energy: -124.239
flat angles C4'-P-C4' energy: -112.372
flat angles P-C4'-P energy: -77.941
tors. eta vs tors. theta energy: -58.896
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: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1060.909801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.909801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.909801 (E_RNA)
where:
Base-Base interactions energy: -636.320
where: short stacking energy: -320.379
Base-Backbone interact. energy: 0.074
local terms energy: -424.663437
where:
bonds (distance) C4'-P energy: -102.817
bonds (distance) P-C4' energy: -106.038
flat angles C4'-P-C4' energy: -99.053
flat angles P-C4'-P energy: -72.007
tors. eta vs tors. theta energy: -44.748
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: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -776.229071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.229071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.229071 (E_RNA)
where:
Base-Base interactions energy: -373.915
where: short stacking energy: -234.534
Base-Backbone interact. energy: -0.348
local terms energy: -401.966314
where:
bonds (distance) C4'-P energy: -96.833
bonds (distance) P-C4' energy: -123.632
flat angles C4'-P-C4' energy: -96.158
flat angles P-C4'-P energy: -64.754
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -700.001626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.001626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.001626 (E_RNA)
where:
Base-Base interactions energy: -344.523
where: short stacking energy: -195.005
Base-Backbone interact. energy: -1.351
local terms energy: -354.127715
where:
bonds (distance) C4'-P energy: -105.806
bonds (distance) P-C4' energy: -102.399
flat angles C4'-P-C4' energy: -116.743
flat angles P-C4'-P energy: -42.860
tors. eta vs tors. theta energy: 13.680
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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2136.600176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.600176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.600176 (E_RNA)
where:
Base-Base interactions energy: -1453.337
where: short stacking energy: -639.892
Base-Backbone interact. energy: -4.363
local terms energy: -678.899958
where:
bonds (distance) C4'-P energy: -128.735
bonds (distance) P-C4' energy: -123.370
flat angles C4'-P-C4' energy: -157.264
flat angles P-C4'-P energy: -84.166
tors. eta vs tors. theta energy: -185.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2014.698892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.698892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.698892 (E_RNA)
where:
Base-Base interactions energy: -1369.753
where: short stacking energy: -602.540
Base-Backbone interact. energy: -3.815
local terms energy: -641.131041
where:
bonds (distance) C4'-P energy: -124.409
bonds (distance) P-C4' energy: -129.051
flat angles C4'-P-C4' energy: -140.533
flat angles P-C4'-P energy: -85.015
tors. eta vs tors. theta energy: -162.124
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: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1948.985399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.985399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.985399 (E_RNA)
where:
Base-Base interactions energy: -1316.494
where: short stacking energy: -567.903
Base-Backbone interact. energy: -0.923
local terms energy: -631.567832
where:
bonds (distance) C4'-P energy: -111.926
bonds (distance) P-C4' energy: -121.765
flat angles C4'-P-C4' energy: -147.069
flat angles P-C4'-P energy: -98.987
tors. eta vs tors. theta energy: -151.821
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: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1833.832125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.832125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.832125 (E_RNA)
where:
Base-Base interactions energy: -1227.805
where: short stacking energy: -538.618
Base-Backbone interact. energy: -0.090
local terms energy: -605.938104
where:
bonds (distance) C4'-P energy: -114.970
bonds (distance) P-C4' energy: -129.543
flat angles C4'-P-C4' energy: -137.695
flat angles P-C4'-P energy: -78.129
tors. eta vs tors. theta energy: -145.601
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: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1764.389167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.389167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.389167 (E_RNA)
where:
Base-Base interactions energy: -1160.498
where: short stacking energy: -516.579
Base-Backbone interact. energy: 1.520
local terms energy: -605.410933
where:
bonds (distance) C4'-P energy: -95.560
bonds (distance) P-C4' energy: -133.601
flat angles C4'-P-C4' energy: -122.281
flat angles P-C4'-P energy: -99.825
tors. eta vs tors. theta energy: -154.143
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: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1445.509945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.509945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.509945 (E_RNA)
where:
Base-Base interactions energy: -878.241
where: short stacking energy: -420.861
Base-Backbone interact. energy: -2.234
local terms energy: -565.034796
where:
bonds (distance) C4'-P energy: -138.850
bonds (distance) P-C4' energy: -120.016
flat angles C4'-P-C4' energy: -129.460
flat angles P-C4'-P energy: -82.746
tors. eta vs tors. theta energy: -93.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1291.095323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.095323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.095323 (E_RNA)
where:
Base-Base interactions energy: -776.475
where: short stacking energy: -365.084
Base-Backbone interact. energy: -0.196
local terms energy: -514.424360
where:
bonds (distance) C4'-P energy: -126.731
bonds (distance) P-C4' energy: -103.512
flat angles C4'-P-C4' energy: -124.135
flat angles P-C4'-P energy: -91.631
tors. eta vs tors. theta energy: -68.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1062.736138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.736138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.736138 (E_RNA)
where:
Base-Base interactions energy: -614.033
where: short stacking energy: -312.626
Base-Backbone interact. energy: 0.572
local terms energy: -449.275032
where:
bonds (distance) C4'-P energy: -118.319
bonds (distance) P-C4' energy: -115.209
flat angles C4'-P-C4' energy: -98.362
flat angles P-C4'-P energy: -68.809
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: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -826.477101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.477101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.477101 (E_RNA)
where:
Base-Base interactions energy: -416.948
where: short stacking energy: -228.946
Base-Backbone interact. energy: -1.718
local terms energy: -407.810202
where:
bonds (distance) C4'-P energy: -117.717
bonds (distance) P-C4' energy: -114.094
flat angles C4'-P-C4' energy: -104.453
flat angles P-C4'-P energy: -47.561
tors. eta vs tors. theta energy: -23.984
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: 76
Temperature: 1.350000
Total energy: -741.355046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.355046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.355046 (E_RNA)
where:
Base-Base interactions energy: -376.516
where: short stacking energy: -212.084
Base-Backbone interact. energy: 2.734
local terms energy: -367.573588
where:
bonds (distance) C4'-P energy: -121.651
bonds (distance) P-C4' energy: -103.238
flat angles C4'-P-C4' energy: -83.900
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2123.461842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.461842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.461842 (E_RNA)
where:
Base-Base interactions energy: -1432.672
where: short stacking energy: -640.611
Base-Backbone interact. energy: 1.539
local terms energy: -692.329036
where:
bonds (distance) C4'-P energy: -113.653
bonds (distance) P-C4' energy: -140.857
flat angles C4'-P-C4' energy: -159.453
flat angles P-C4'-P energy: -105.901
tors. eta vs tors. theta energy: -172.465
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: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2022.084960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.084960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.084960 (E_RNA)
where:
Base-Base interactions energy: -1353.717
where: short stacking energy: -615.172
Base-Backbone interact. energy: -2.865
local terms energy: -665.503287
where:
bonds (distance) C4'-P energy: -117.090
bonds (distance) P-C4' energy: -133.577
flat angles C4'-P-C4' energy: -154.041
flat angles P-C4'-P energy: -85.752
tors. eta vs tors. theta energy: -175.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1954.978591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.978591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.978591 (E_RNA)
where:
Base-Base interactions energy: -1324.297
where: short stacking energy: -539.338
Base-Backbone interact. energy: -3.713
local terms energy: -626.968480
where:
bonds (distance) C4'-P energy: -111.419
bonds (distance) P-C4' energy: -140.698
flat angles C4'-P-C4' energy: -135.302
flat angles P-C4'-P energy: -95.209
tors. eta vs tors. theta energy: -144.341
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: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1845.656404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.656404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.656404 (E_RNA)
where:
Base-Base interactions energy: -1245.391
where: short stacking energy: -549.825
Base-Backbone interact. energy: -4.809
local terms energy: -595.455884
where:
bonds (distance) C4'-P energy: -121.351
bonds (distance) P-C4' energy: -111.608
flat angles C4'-P-C4' energy: -124.130
flat angles P-C4'-P energy: -96.048
tors. eta vs tors. theta energy: -142.318
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: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1694.304958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.304958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.304958 (E_RNA)
where:
Base-Base interactions energy: -1135.685
where: short stacking energy: -507.834
Base-Backbone interact. energy: -4.171
local terms energy: -554.448566
where:
bonds (distance) C4'-P energy: -99.661
bonds (distance) P-C4' energy: -127.819
flat angles C4'-P-C4' energy: -133.902
flat angles P-C4'-P energy: -72.150
tors. eta vs tors. theta energy: -120.916
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: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1423.401253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.401253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.401253 (E_RNA)
where:
Base-Base interactions energy: -898.171
where: short stacking energy: -401.153
Base-Backbone interact. energy: -1.063
local terms energy: -524.166917
where:
bonds (distance) C4'-P energy: -109.432
bonds (distance) P-C4' energy: -118.792
flat angles C4'-P-C4' energy: -127.424
flat angles P-C4'-P energy: -82.452
tors. eta vs tors. theta energy: -86.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1269.216982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.216982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.216982 (E_RNA)
where:
Base-Base interactions energy: -813.413
where: short stacking energy: -380.602
Base-Backbone interact. energy: -1.402
local terms energy: -454.402431
where:
bonds (distance) C4'-P energy: -91.359
bonds (distance) P-C4' energy: -109.863
flat angles C4'-P-C4' energy: -119.430
flat angles P-C4'-P energy: -60.503
tors. eta vs tors. theta energy: -73.248
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: 77
Temperature: 1.250000
Total energy: -1009.617258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.617258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.617258 (E_RNA)
where:
Base-Base interactions energy: -588.222
where: short stacking energy: -322.027
Base-Backbone interact. energy: -0.974
local terms energy: -420.421535
where:
bonds (distance) C4'-P energy: -116.466
bonds (distance) P-C4' energy: -99.716
flat angles C4'-P-C4' energy: -105.199
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -52.144
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: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -785.583520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.583520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.583520 (E_RNA)
where:
Base-Base interactions energy: -400.708
where: short stacking energy: -223.073
Base-Backbone interact. energy: -3.809
local terms energy: -381.066369
where:
bonds (distance) C4'-P energy: -107.872
bonds (distance) P-C4' energy: -112.862
flat angles C4'-P-C4' energy: -84.436
flat angles P-C4'-P energy: -57.690
tors. eta vs tors. theta energy: -18.206
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: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -695.814340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.814340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.814340 (E_RNA)
where:
Base-Base interactions energy: -318.739
where: short stacking energy: -176.416
Base-Backbone interact. energy: 1.701
local terms energy: -378.776866
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -107.941
flat angles C4'-P-C4' energy: -93.269
flat angles P-C4'-P energy: -67.072
tors. eta vs tors. theta energy: -5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2118.227919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.227919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.227919 (E_RNA)
where:
Base-Base interactions energy: -1384.719
where: short stacking energy: -654.115
Base-Backbone interact. energy: -1.835
local terms energy: -731.673841
where:
bonds (distance) C4'-P energy: -128.553
bonds (distance) P-C4' energy: -141.019
flat angles C4'-P-C4' energy: -154.930
flat angles P-C4'-P energy: -106.961
tors. eta vs tors. theta energy: -200.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2000.962449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.962449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.962449 (E_RNA)
where:
Base-Base interactions energy: -1332.303
where: short stacking energy: -608.267
Base-Backbone interact. energy: -1.336
local terms energy: -667.323404
where:
bonds (distance) C4'-P energy: -125.193
bonds (distance) P-C4' energy: -121.992
flat angles C4'-P-C4' energy: -145.267
flat angles P-C4'-P energy: -92.015
tors. eta vs tors. theta energy: -182.857
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: 78
Temperature: 1.000000
Total energy: -2029.741179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.741179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.741179 (E_RNA)
where:
Base-Base interactions energy: -1398.779
where: short stacking energy: -623.680
Base-Backbone interact. energy: -1.907
local terms energy: -629.055238
where:
bonds (distance) C4'-P energy: -122.941
bonds (distance) P-C4' energy: -115.954
flat angles C4'-P-C4' energy: -138.842
flat angles P-C4'-P energy: -86.673
tors. eta vs tors. theta energy: -164.645
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: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1795.857586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.857586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.857586 (E_RNA)
where:
Base-Base interactions energy: -1197.297
where: short stacking energy: -511.210
Base-Backbone interact. energy: -2.680
local terms energy: -595.880376
where:
bonds (distance) C4'-P energy: -108.257
bonds (distance) P-C4' energy: -122.463
flat angles C4'-P-C4' energy: -131.930
flat angles P-C4'-P energy: -91.211
tors. eta vs tors. theta energy: -142.019
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: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1757.972749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.972749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.972749 (E_RNA)
where:
Base-Base interactions energy: -1189.412
where: short stacking energy: -534.214
Base-Backbone interact. energy: -3.104
local terms energy: -565.456906
where:
bonds (distance) C4'-P energy: -105.119
bonds (distance) P-C4' energy: -107.355
flat angles C4'-P-C4' energy: -124.764
flat angles P-C4'-P energy: -79.741
tors. eta vs tors. theta energy: -148.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1453.932060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.932060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.932060 (E_RNA)
where:
Base-Base interactions energy: -908.000
where: short stacking energy: -422.492
Base-Backbone interact. energy: 1.459
local terms energy: -547.391647
where:
bonds (distance) C4'-P energy: -98.449
bonds (distance) P-C4' energy: -121.322
flat angles C4'-P-C4' energy: -137.291
flat angles P-C4'-P energy: -86.010
tors. eta vs tors. theta energy: -104.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1295.071705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.071705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.071705 (E_RNA)
where:
Base-Base interactions energy: -844.806
where: short stacking energy: -359.597
Base-Backbone interact. energy: -0.050
local terms energy: -450.216144
where:
bonds (distance) C4'-P energy: -97.024
bonds (distance) P-C4' energy: -113.967
flat angles C4'-P-C4' energy: -104.881
flat angles P-C4'-P energy: -75.453
tors. eta vs tors. theta energy: -58.891
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: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1023.379012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.379012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.379012 (E_RNA)
where:
Base-Base interactions energy: -608.982
where: short stacking energy: -287.083
Base-Backbone interact. energy: 0.377
local terms energy: -414.773603
where:
bonds (distance) C4'-P energy: -98.969
bonds (distance) P-C4' energy: -109.591
flat angles C4'-P-C4' energy: -95.554
flat angles P-C4'-P energy: -73.414
tors. eta vs tors. theta energy: -37.246
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: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -784.243749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.243749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.243749 (E_RNA)
where:
Base-Base interactions energy: -425.464
where: short stacking energy: -210.250
Base-Backbone interact. energy: 4.579
local terms energy: -363.358603
where:
bonds (distance) C4'-P energy: -112.197
bonds (distance) P-C4' energy: -101.651
flat angles C4'-P-C4' energy: -96.630
flat angles P-C4'-P energy: -56.970
tors. eta vs tors. theta energy: 4.089
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: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -776.953592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.953592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.953592 (E_RNA)
where:
Base-Base interactions energy: -404.120
where: short stacking energy: -214.582
Base-Backbone interact. energy: 0.095
local terms energy: -372.928319
where:
bonds (distance) C4'-P energy: -97.454
bonds (distance) P-C4' energy: -111.073
flat angles C4'-P-C4' energy: -88.252
flat angles P-C4'-P energy: -66.173
tors. eta vs tors. theta energy: -9.975
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: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2095.021992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.021992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.021992 (E_RNA)
where:
Base-Base interactions energy: -1415.418
where: short stacking energy: -631.458
Base-Backbone interact. energy: -2.384
local terms energy: -677.220008
where:
bonds (distance) C4'-P energy: -120.229
bonds (distance) P-C4' energy: -136.237
flat angles C4'-P-C4' energy: -152.606
flat angles P-C4'-P energy: -94.098
tors. eta vs tors. theta energy: -174.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1996.965598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.965598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.965598 (E_RNA)
where:
Base-Base interactions energy: -1334.994
where: short stacking energy: -612.245
Base-Backbone interact. energy: -4.455
local terms energy: -657.516648
where:
bonds (distance) C4'-P energy: -106.542
bonds (distance) P-C4' energy: -128.670
flat angles C4'-P-C4' energy: -155.442
flat angles P-C4'-P energy: -87.841
tors. eta vs tors. theta energy: -179.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2069.104449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.104449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.104449 (E_RNA)
where:
Base-Base interactions energy: -1416.857
where: short stacking energy: -565.484
Base-Backbone interact. energy: -1.414
local terms energy: -650.833669
where:
bonds (distance) C4'-P energy: -127.336
bonds (distance) P-C4' energy: -140.701
flat angles C4'-P-C4' energy: -139.730
flat angles P-C4'-P energy: -94.337
tors. eta vs tors. theta energy: -148.729
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: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1854.629539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.629539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.629539 (E_RNA)
where:
Base-Base interactions energy: -1238.787
where: short stacking energy: -572.763
Base-Backbone interact. energy: 1.420
local terms energy: -617.262428
where:
bonds (distance) C4'-P energy: -115.722
bonds (distance) P-C4' energy: -129.628
flat angles C4'-P-C4' energy: -144.524
flat angles P-C4'-P energy: -74.634
tors. eta vs tors. theta energy: -152.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1774.397686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.397686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.397686 (E_RNA)
where:
Base-Base interactions energy: -1196.122
where: short stacking energy: -519.388
Base-Backbone interact. energy: -0.857
local terms energy: -577.419466
where:
bonds (distance) C4'-P energy: -120.985
bonds (distance) P-C4' energy: -111.046
flat angles C4'-P-C4' energy: -120.442
flat angles P-C4'-P energy: -82.669
tors. eta vs tors. theta energy: -142.278
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: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1476.020241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.020241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.020241 (E_RNA)
where:
Base-Base interactions energy: -920.044
where: short stacking energy: -433.489
Base-Backbone interact. energy: -2.063
local terms energy: -553.913575
where:
bonds (distance) C4'-P energy: -104.844
bonds (distance) P-C4' energy: -118.357
flat angles C4'-P-C4' energy: -137.292
flat angles P-C4'-P energy: -80.570
tors. eta vs tors. theta energy: -112.851
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: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1327.367397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.367397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.367397 (E_RNA)
where:
Base-Base interactions energy: -821.195
where: short stacking energy: -382.251
Base-Backbone interact. energy: -1.822
local terms energy: -504.350139
where:
bonds (distance) C4'-P energy: -92.452
bonds (distance) P-C4' energy: -121.984
flat angles C4'-P-C4' energy: -131.951
flat angles P-C4'-P energy: -85.996
tors. eta vs tors. theta energy: -71.968
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: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1022.609403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.609403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.609403 (E_RNA)
where:
Base-Base interactions energy: -585.953
where: short stacking energy: -309.370
Base-Backbone interact. energy: 5.012
local terms energy: -441.667752
where:
bonds (distance) C4'-P energy: -100.971
bonds (distance) P-C4' energy: -118.963
flat angles C4'-P-C4' energy: -106.009
flat angles P-C4'-P energy: -54.741
tors. eta vs tors. theta energy: -60.983
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: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -831.254320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.254320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.254320 (E_RNA)
where:
Base-Base interactions energy: -449.176
where: short stacking energy: -240.393
Base-Backbone interact. energy: 0.177
local terms energy: -382.254760
where:
bonds (distance) C4'-P energy: -110.516
bonds (distance) P-C4' energy: -88.895
flat angles C4'-P-C4' energy: -115.863
flat angles P-C4'-P energy: -55.105
tors. eta vs tors. theta energy: -11.876
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: 79
Temperature: 1.350000
Total energy: -825.336631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.336631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.336631 (E_RNA)
where:
Base-Base interactions energy: -437.118
where: short stacking energy: -243.061
Base-Backbone interact. energy: -1.338
local terms energy: -386.880571
where:
bonds (distance) C4'-P energy: -110.602
bonds (distance) P-C4' energy: -103.937
flat angles C4'-P-C4' energy: -101.649
flat angles P-C4'-P energy: -57.163
tors. eta vs tors. theta energy: -13.530
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: 80
Temperature: 0.900000
Total energy: -2101.373699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.373699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.373699 (E_RNA)
where:
Base-Base interactions energy: -1424.819
where: short stacking energy: -625.152
Base-Backbone interact. energy: 1.254
local terms energy: -677.809454
where:
bonds (distance) C4'-P energy: -137.560
bonds (distance) P-C4' energy: -135.304
flat angles C4'-P-C4' energy: -143.533
flat angles P-C4'-P energy: -97.843
tors. eta vs tors. theta energy: -163.570
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: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2005.266410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.266410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.266410 (E_RNA)
where:
Base-Base interactions energy: -1326.045
where: short stacking energy: -609.833
Base-Backbone interact. energy: 3.107
local terms energy: -682.328765
where:
bonds (distance) C4'-P energy: -121.259
bonds (distance) P-C4' energy: -129.704
flat angles C4'-P-C4' energy: -150.025
flat angles P-C4'-P energy: -108.757
tors. eta vs tors. theta energy: -172.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2070.074714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.074714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.074714 (E_RNA)
where:
Base-Base interactions energy: -1434.735
where: short stacking energy: -628.299
Base-Backbone interact. energy: -5.026
local terms energy: -630.313162
where:
bonds (distance) C4'-P energy: -102.729
bonds (distance) P-C4' energy: -123.631
flat angles C4'-P-C4' energy: -141.108
flat angles P-C4'-P energy: -88.512
tors. eta vs tors. theta energy: -174.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1846.798367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.798367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.798367 (E_RNA)
where:
Base-Base interactions energy: -1220.271
where: short stacking energy: -577.459
Base-Backbone interact. energy: 0.341
local terms energy: -626.867849
where:
bonds (distance) C4'-P energy: -129.239
bonds (distance) P-C4' energy: -107.959
flat angles C4'-P-C4' energy: -143.433
flat angles P-C4'-P energy: -86.929
tors. eta vs tors. theta energy: -159.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1712.479802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.479802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.479802 (E_RNA)
where:
Base-Base interactions energy: -1153.263
where: short stacking energy: -511.738
Base-Backbone interact. energy: 3.324
local terms energy: -562.541018
where:
bonds (distance) C4'-P energy: -108.626
bonds (distance) P-C4' energy: -105.372
flat angles C4'-P-C4' energy: -136.352
flat angles P-C4'-P energy: -87.317
tors. eta vs tors. theta energy: -124.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1503.539143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.539143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.539143 (E_RNA)
where:
Base-Base interactions energy: -914.248
where: short stacking energy: -457.032
Base-Backbone interact. energy: -0.938
local terms energy: -588.353790
where:
bonds (distance) C4'-P energy: -111.398
bonds (distance) P-C4' energy: -133.519
flat angles C4'-P-C4' energy: -142.068
flat angles P-C4'-P energy: -87.776
tors. eta vs tors. theta energy: -113.594
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: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1242.780780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.780780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.780780 (E_RNA)
where:
Base-Base interactions energy: -766.847
where: short stacking energy: -366.315
Base-Backbone interact. energy: 1.416
local terms energy: -477.350401
where:
bonds (distance) C4'-P energy: -121.290
bonds (distance) P-C4' energy: -123.318
flat angles C4'-P-C4' energy: -109.381
flat angles P-C4'-P energy: -59.016
tors. eta vs tors. theta energy: -64.345
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: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1037.900387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.900387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.900387 (E_RNA)
where:
Base-Base interactions energy: -561.739
where: short stacking energy: -299.301
Base-Backbone interact. energy: 0.687
local terms energy: -476.847711
where:
bonds (distance) C4'-P energy: -105.443
bonds (distance) P-C4' energy: -119.052
flat angles C4'-P-C4' energy: -126.374
flat angles P-C4'-P energy: -70.131
tors. eta vs tors. theta energy: -55.848
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: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -895.271793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.271793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.271793 (E_RNA)
where:
Base-Base interactions energy: -465.262
where: short stacking energy: -226.799
Base-Backbone interact. energy: 1.294
local terms energy: -431.303445
where:
bonds (distance) C4'-P energy: -120.541
bonds (distance) P-C4' energy: -117.710
flat angles C4'-P-C4' energy: -107.440
flat angles P-C4'-P energy: -69.245
tors. eta vs tors. theta energy: -16.366
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: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -740.261782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.261782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.261782 (E_RNA)
where:
Base-Base interactions energy: -408.413
where: short stacking energy: -218.729
Base-Backbone interact. energy: -0.635
local terms energy: -331.214404
where:
bonds (distance) C4'-P energy: -85.811
bonds (distance) P-C4' energy: -109.901
flat angles C4'-P-C4' energy: -101.306
flat angles P-C4'-P energy: -29.930
tors. eta vs tors. theta energy: -4.267
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: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2130.461638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.461638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.461638 (E_RNA)
where:
Base-Base interactions energy: -1430.837
where: short stacking energy: -645.924
Base-Backbone interact. energy: 0.277
local terms energy: -699.901789
where:
bonds (distance) C4'-P energy: -127.931
bonds (distance) P-C4' energy: -130.321
flat angles C4'-P-C4' energy: -147.088
flat angles P-C4'-P energy: -104.298
tors. eta vs tors. theta energy: -190.265
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: 81
Temperature: 0.950000
Total energy: -2136.996181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.996181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.996181 (E_RNA)
where:
Base-Base interactions energy: -1469.738
where: short stacking energy: -605.846
Base-Backbone interact. energy: 0.636
local terms energy: -667.894666
where:
bonds (distance) C4'-P energy: -132.546
bonds (distance) P-C4' energy: -141.382
flat angles C4'-P-C4' energy: -142.417
flat angles P-C4'-P energy: -86.093
tors. eta vs tors. theta energy: -165.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1935.860446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.860446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.860446 (E_RNA)
where:
Base-Base interactions energy: -1271.421
where: short stacking energy: -597.809
Base-Backbone interact. energy: 3.558
local terms energy: -667.997547
where:
bonds (distance) C4'-P energy: -119.137
bonds (distance) P-C4' energy: -142.523
flat angles C4'-P-C4' energy: -140.221
flat angles P-C4'-P energy: -91.611
tors. eta vs tors. theta energy: -174.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1906.458874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.458874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.458874 (E_RNA)
where:
Base-Base interactions energy: -1274.433
where: short stacking energy: -569.083
Base-Backbone interact. energy: -1.844
local terms energy: -630.181270
where:
bonds (distance) C4'-P energy: -105.419
bonds (distance) P-C4' energy: -124.642
flat angles C4'-P-C4' energy: -132.240
flat angles P-C4'-P energy: -91.476
tors. eta vs tors. theta energy: -176.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1772.638704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.638704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.638704 (E_RNA)
where:
Base-Base interactions energy: -1192.048
where: short stacking energy: -510.499
Base-Backbone interact. energy: -3.529
local terms energy: -577.061523
where:
bonds (distance) C4'-P energy: -105.845
bonds (distance) P-C4' energy: -111.796
flat angles C4'-P-C4' energy: -139.984
flat angles P-C4'-P energy: -75.358
tors. eta vs tors. theta energy: -144.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1440.853646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.853646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.853646 (E_RNA)
where:
Base-Base interactions energy: -899.313
where: short stacking energy: -417.127
Base-Backbone interact. energy: -0.447
local terms energy: -541.093498
where:
bonds (distance) C4'-P energy: -118.175
bonds (distance) P-C4' energy: -133.910
flat angles C4'-P-C4' energy: -99.494
flat angles P-C4'-P energy: -72.630
tors. eta vs tors. theta energy: -116.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1236.224992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.224992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.224992 (E_RNA)
where:
Base-Base interactions energy: -765.240
where: short stacking energy: -366.152
Base-Backbone interact. energy: -0.890
local terms energy: -470.094685
where:
bonds (distance) C4'-P energy: -98.393
bonds (distance) P-C4' energy: -104.598
flat angles C4'-P-C4' energy: -113.906
flat angles P-C4'-P energy: -78.304
tors. eta vs tors. theta energy: -74.893
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: 81
Temperature: 1.250000
Total energy: -1015.638085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.638085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.638085 (E_RNA)
where:
Base-Base interactions energy: -579.242
where: short stacking energy: -301.380
Base-Backbone interact. energy: -0.021
local terms energy: -436.375213
where:
bonds (distance) C4'-P energy: -116.246
bonds (distance) P-C4' energy: -102.729
flat angles C4'-P-C4' energy: -113.498
flat angles P-C4'-P energy: -59.921
tors. eta vs tors. theta energy: -43.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -938.950032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.950032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.950032 (E_RNA)
where:
Base-Base interactions energy: -539.131
where: short stacking energy: -261.439
Base-Backbone interact. energy: -1.758
local terms energy: -398.061465
where:
bonds (distance) C4'-P energy: -108.062
bonds (distance) P-C4' energy: -122.000
flat angles C4'-P-C4' energy: -86.529
flat angles P-C4'-P energy: -62.828
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -771.920392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.920392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.920392 (E_RNA)
where:
Base-Base interactions energy: -421.056
where: short stacking energy: -206.074
Base-Backbone interact. energy: 5.719
local terms energy: -356.583959
where:
bonds (distance) C4'-P energy: -100.887
bonds (distance) P-C4' energy: -93.552
flat angles C4'-P-C4' energy: -90.449
flat angles P-C4'-P energy: -58.020
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2148.709448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.709448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.709448 (E_RNA)
where:
Base-Base interactions energy: -1432.334
where: short stacking energy: -646.142
Base-Backbone interact. energy: 0.990
local terms energy: -717.365445
where:
bonds (distance) C4'-P energy: -141.139
bonds (distance) P-C4' energy: -133.977
flat angles C4'-P-C4' energy: -149.308
flat angles P-C4'-P energy: -110.936
tors. eta vs tors. theta energy: -182.006
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: 82
Temperature: 0.950000
Total energy: -2123.795259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.795259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.795259 (E_RNA)
where:
Base-Base interactions energy: -1445.531
where: short stacking energy: -607.243
Base-Backbone interact. energy: 1.959
local terms energy: -680.223320
where:
bonds (distance) C4'-P energy: -120.672
bonds (distance) P-C4' energy: -144.173
flat angles C4'-P-C4' energy: -141.647
flat angles P-C4'-P energy: -94.977
tors. eta vs tors. theta energy: -178.754
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: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1965.787419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.787419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.787419 (E_RNA)
where:
Base-Base interactions energy: -1308.706
where: short stacking energy: -626.101
Base-Backbone interact. energy: 5.561
local terms energy: -662.643095
where:
bonds (distance) C4'-P energy: -136.359
bonds (distance) P-C4' energy: -107.526
flat angles C4'-P-C4' energy: -143.963
flat angles P-C4'-P energy: -97.893
tors. eta vs tors. theta energy: -176.902
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: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1882.287436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.287436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.287436 (E_RNA)
where:
Base-Base interactions energy: -1225.649
where: short stacking energy: -559.831
Base-Backbone interact. energy: -2.486
local terms energy: -654.152144
where:
bonds (distance) C4'-P energy: -136.001
bonds (distance) P-C4' energy: -144.808
flat angles C4'-P-C4' energy: -129.794
flat angles P-C4'-P energy: -82.680
tors. eta vs tors. theta energy: -160.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1758.677677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.677677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.677677 (E_RNA)
where:
Base-Base interactions energy: -1190.459
where: short stacking energy: -474.852
Base-Backbone interact. energy: -0.362
local terms energy: -567.857288
where:
bonds (distance) C4'-P energy: -117.298
bonds (distance) P-C4' energy: -127.587
flat angles C4'-P-C4' energy: -138.623
flat angles P-C4'-P energy: -62.413
tors. eta vs tors. theta energy: -121.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1496.385900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.385900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.385900 (E_RNA)
where:
Base-Base interactions energy: -929.476
where: short stacking energy: -442.731
Base-Backbone interact. energy: -2.129
local terms energy: -564.780713
where:
bonds (distance) C4'-P energy: -109.160
bonds (distance) P-C4' energy: -116.659
flat angles C4'-P-C4' energy: -134.915
flat angles P-C4'-P energy: -77.272
tors. eta vs tors. theta energy: -126.775
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: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1252.274719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.274719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.274719 (E_RNA)
where:
Base-Base interactions energy: -766.803
where: short stacking energy: -371.153
Base-Backbone interact. energy: -1.864
local terms energy: -483.607116
where:
bonds (distance) C4'-P energy: -97.127
bonds (distance) P-C4' energy: -115.764
flat angles C4'-P-C4' energy: -120.235
flat angles P-C4'-P energy: -71.099
tors. eta vs tors. theta energy: -79.382
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: 82
Temperature: 1.250000
Total energy: -1059.746576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.746576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.746576 (E_RNA)
where:
Base-Base interactions energy: -620.677
where: short stacking energy: -317.707
Base-Backbone interact. energy: -3.316
local terms energy: -435.754095
where:
bonds (distance) C4'-P energy: -107.719
bonds (distance) P-C4' energy: -105.580
flat angles C4'-P-C4' energy: -105.630
flat angles P-C4'-P energy: -72.420
tors. eta vs tors. theta energy: -44.405
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: 82
Temperature: 1.300000
Total energy: -903.217937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.217937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.217937 (E_RNA)
where:
Base-Base interactions energy: -489.169
where: short stacking energy: -239.594
Base-Backbone interact. energy: 0.906
local terms energy: -414.955832
where:
bonds (distance) C4'-P energy: -107.265
bonds (distance) P-C4' energy: -104.736
flat angles C4'-P-C4' energy: -117.861
flat angles P-C4'-P energy: -66.625
tors. eta vs tors. theta energy: -18.469
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: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -739.921108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.921108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.921108 (E_RNA)
where:
Base-Base interactions energy: -405.378
where: short stacking energy: -201.750
Base-Backbone interact. energy: 0.763
local terms energy: -335.305856
where:
bonds (distance) C4'-P energy: -89.515
bonds (distance) P-C4' energy: -98.694
flat angles C4'-P-C4' energy: -100.651
flat angles P-C4'-P energy: -51.785
tors. eta vs tors. theta energy: 5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2140.661577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.661577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.661577 (E_RNA)
where:
Base-Base interactions energy: -1431.040
where: short stacking energy: -652.253
Base-Backbone interact. energy: -2.687
local terms energy: -706.934740
where:
bonds (distance) C4'-P energy: -129.985
bonds (distance) P-C4' energy: -125.164
flat angles C4'-P-C4' energy: -147.783
flat angles P-C4'-P energy: -106.047
tors. eta vs tors. theta energy: -197.956
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: 83
Temperature: 0.950000
Total energy: -2114.846704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.846704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.846704 (E_RNA)
where:
Base-Base interactions energy: -1454.950
where: short stacking energy: -602.006
Base-Backbone interact. energy: 1.368
local terms energy: -661.264930
where:
bonds (distance) C4'-P energy: -119.567
bonds (distance) P-C4' energy: -127.679
flat angles C4'-P-C4' energy: -157.400
flat angles P-C4'-P energy: -88.505
tors. eta vs tors. theta energy: -168.113
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: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1952.590255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.590255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.590255 (E_RNA)
where:
Base-Base interactions energy: -1294.408
where: short stacking energy: -583.195
Base-Backbone interact. energy: -0.784
local terms energy: -657.398193
where:
bonds (distance) C4'-P energy: -130.765
bonds (distance) P-C4' energy: -132.614
flat angles C4'-P-C4' energy: -140.354
flat angles P-C4'-P energy: -95.356
tors. eta vs tors. theta energy: -158.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1898.905030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.905030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.905030 (E_RNA)
where:
Base-Base interactions energy: -1240.319
where: short stacking energy: -592.986
Base-Backbone interact. energy: -0.343
local terms energy: -658.243527
where:
bonds (distance) C4'-P energy: -123.566
bonds (distance) P-C4' energy: -120.008
flat angles C4'-P-C4' energy: -138.036
flat angles P-C4'-P energy: -99.148
tors. eta vs tors. theta energy: -177.485
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: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1749.600171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.600171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.600171 (E_RNA)
where:
Base-Base interactions energy: -1185.778
where: short stacking energy: -517.835
Base-Backbone interact. energy: 0.509
local terms energy: -564.330945
where:
bonds (distance) C4'-P energy: -113.432
bonds (distance) P-C4' energy: -126.695
flat angles C4'-P-C4' energy: -129.955
flat angles P-C4'-P energy: -69.251
tors. eta vs tors. theta energy: -124.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1460.952103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.952103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.952103 (E_RNA)
where:
Base-Base interactions energy: -926.477
where: short stacking energy: -446.387
Base-Backbone interact. energy: 2.252
local terms energy: -536.727297
where:
bonds (distance) C4'-P energy: -106.778
bonds (distance) P-C4' energy: -135.805
flat angles C4'-P-C4' energy: -104.974
flat angles P-C4'-P energy: -78.618
tors. eta vs tors. theta energy: -110.552
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: 83
Temperature: 1.200000
Total energy: -1207.342900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.342900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.342900 (E_RNA)
where:
Base-Base interactions energy: -696.646
where: short stacking energy: -355.264
Base-Backbone interact. energy: -0.019
local terms energy: -510.677525
where:
bonds (distance) C4'-P energy: -121.338
bonds (distance) P-C4' energy: -131.993
flat angles C4'-P-C4' energy: -109.545
flat angles P-C4'-P energy: -72.846
tors. eta vs tors. theta energy: -74.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1044.510599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.510599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.510599 (E_RNA)
where:
Base-Base interactions energy: -597.192
where: short stacking energy: -309.941
Base-Backbone interact. energy: -1.602
local terms energy: -445.716617
where:
bonds (distance) C4'-P energy: -92.743
bonds (distance) P-C4' energy: -116.596
flat angles C4'-P-C4' energy: -107.964
flat angles P-C4'-P energy: -73.419
tors. eta vs tors. theta energy: -54.995
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: 83
Temperature: 1.300000
Total energy: -917.674381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.674381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.674381 (E_RNA)
where:
Base-Base interactions energy: -529.772
where: short stacking energy: -277.800
Base-Backbone interact. energy: -2.463
local terms energy: -385.438938
where:
bonds (distance) C4'-P energy: -99.799
bonds (distance) P-C4' energy: -109.779
flat angles C4'-P-C4' energy: -100.702
flat angles P-C4'-P energy: -52.370
tors. eta vs tors. theta energy: -22.788
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: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -767.976091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.976091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.976091 (E_RNA)
where:
Base-Base interactions energy: -386.735
where: short stacking energy: -178.020
Base-Backbone interact. energy: -0.445
local terms energy: -380.795332
where:
bonds (distance) C4'-P energy: -92.729
bonds (distance) P-C4' energy: -124.577
flat angles C4'-P-C4' energy: -104.253
flat angles P-C4'-P energy: -64.488
tors. eta vs tors. theta energy: 5.251
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: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2230.398473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.398473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.398473 (E_RNA)
where:
Base-Base interactions energy: -1525.768
where: short stacking energy: -646.336
Base-Backbone interact. energy: -1.709
local terms energy: -702.922189
where:
bonds (distance) C4'-P energy: -132.073
bonds (distance) P-C4' energy: -140.524
flat angles C4'-P-C4' energy: -151.672
flat angles P-C4'-P energy: -92.110
tors. eta vs tors. theta energy: -186.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2098.790219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.790219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.790219 (E_RNA)
where:
Base-Base interactions energy: -1406.719
where: short stacking energy: -636.283
Base-Backbone interact. energy: -1.790
local terms energy: -690.280958
where:
bonds (distance) C4'-P energy: -131.429
bonds (distance) P-C4' energy: -115.014
flat angles C4'-P-C4' energy: -156.861
flat angles P-C4'-P energy: -97.088
tors. eta vs tors. theta energy: -189.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1923.772258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.772258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.772258 (E_RNA)
where:
Base-Base interactions energy: -1259.658
where: short stacking energy: -620.765
Base-Backbone interact. energy: 0.525
local terms energy: -664.639472
where:
bonds (distance) C4'-P energy: -121.885
bonds (distance) P-C4' energy: -124.505
flat angles C4'-P-C4' energy: -141.531
flat angles P-C4'-P energy: -108.194
tors. eta vs tors. theta energy: -168.523
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: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1843.948723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.948723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.948723 (E_RNA)
where:
Base-Base interactions energy: -1237.387
where: short stacking energy: -554.302
Base-Backbone interact. energy: 1.157
local terms energy: -607.718292
where:
bonds (distance) C4'-P energy: -115.999
bonds (distance) P-C4' energy: -124.933
flat angles C4'-P-C4' energy: -127.336
flat angles P-C4'-P energy: -83.481
tors. eta vs tors. theta energy: -155.969
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: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1682.631183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.631183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.631183 (E_RNA)
where:
Base-Base interactions energy: -1095.166
where: short stacking energy: -501.658
Base-Backbone interact. energy: 4.176
local terms energy: -591.640823
where:
bonds (distance) C4'-P energy: -116.828
bonds (distance) P-C4' energy: -119.148
flat angles C4'-P-C4' energy: -136.397
flat angles P-C4'-P energy: -84.210
tors. eta vs tors. theta energy: -135.058
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: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1454.987254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.987254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.987254 (E_RNA)
where:
Base-Base interactions energy: -937.476
where: short stacking energy: -438.336
Base-Backbone interact. energy: -3.601
local terms energy: -513.910306
where:
bonds (distance) C4'-P energy: -102.292
bonds (distance) P-C4' energy: -114.475
flat angles C4'-P-C4' energy: -123.226
flat angles P-C4'-P energy: -71.450
tors. eta vs tors. theta energy: -102.468
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: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1200.265521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.265521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.265521 (E_RNA)
where:
Base-Base interactions energy: -734.763
where: short stacking energy: -343.579
Base-Backbone interact. energy: -5.750
local terms energy: -459.752563
where:
bonds (distance) C4'-P energy: -108.383
bonds (distance) P-C4' energy: -128.953
flat angles C4'-P-C4' energy: -110.623
flat angles P-C4'-P energy: -62.281
tors. eta vs tors. theta energy: -49.513
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: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1134.003542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.003542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.003542 (E_RNA)
where:
Base-Base interactions energy: -695.529
where: short stacking energy: -338.821
Base-Backbone interact. energy: 8.829
local terms energy: -447.304062
where:
bonds (distance) C4'-P energy: -104.881
bonds (distance) P-C4' energy: -120.663
flat angles C4'-P-C4' energy: -111.980
flat angles P-C4'-P energy: -52.533
tors. eta vs tors. theta energy: -57.246
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: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -971.295528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.295528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.295528 (E_RNA)
where:
Base-Base interactions energy: -558.027
where: short stacking energy: -284.271
Base-Backbone interact. energy: 0.334
local terms energy: -413.603106
where:
bonds (distance) C4'-P energy: -106.584
bonds (distance) P-C4' energy: -129.716
flat angles C4'-P-C4' energy: -92.009
flat angles P-C4'-P energy: -52.910
tors. eta vs tors. theta energy: -32.385
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: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -706.701845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.701845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.701845 (E_RNA)
where:
Base-Base interactions energy: -365.994
where: short stacking energy: -218.865
Base-Backbone interact. energy: 2.970
local terms energy: -343.678179
where:
bonds (distance) C4'-P energy: -97.908
bonds (distance) P-C4' energy: -101.523
flat angles C4'-P-C4' energy: -85.230
flat angles P-C4'-P energy: -61.012
tors. eta vs tors. theta energy: 1.994
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: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2187.694953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.694953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.694953 (E_RNA)
where:
Base-Base interactions energy: -1496.129
where: short stacking energy: -639.820
Base-Backbone interact. energy: -2.901
local terms energy: -688.665233
where:
bonds (distance) C4'-P energy: -144.870
bonds (distance) P-C4' energy: -136.308
flat angles C4'-P-C4' energy: -145.413
flat angles P-C4'-P energy: -86.232
tors. eta vs tors. theta energy: -175.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2091.753908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.753908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.753908 (E_RNA)
where:
Base-Base interactions energy: -1378.396
where: short stacking energy: -604.751
Base-Backbone interact. energy: -1.550
local terms energy: -711.808025
where:
bonds (distance) C4'-P energy: -134.089
bonds (distance) P-C4' energy: -139.494
flat angles C4'-P-C4' energy: -145.458
flat angles P-C4'-P energy: -102.018
tors. eta vs tors. theta energy: -190.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1900.504878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.504878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.504878 (E_RNA)
where:
Base-Base interactions energy: -1232.447
where: short stacking energy: -607.462
Base-Backbone interact. energy: -4.640
local terms energy: -663.417964
where:
bonds (distance) C4'-P energy: -113.873
bonds (distance) P-C4' energy: -123.675
flat angles C4'-P-C4' energy: -145.265
flat angles P-C4'-P energy: -105.233
tors. eta vs tors. theta energy: -175.373
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: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1801.437532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.437532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.437532 (E_RNA)
where:
Base-Base interactions energy: -1198.523
where: short stacking energy: -540.156
Base-Backbone interact. energy: -1.551
local terms energy: -601.362834
where:
bonds (distance) C4'-P energy: -105.504
bonds (distance) P-C4' energy: -124.772
flat angles C4'-P-C4' energy: -136.784
flat angles P-C4'-P energy: -88.708
tors. eta vs tors. theta energy: -145.594
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: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1706.915863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.915863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.915863 (E_RNA)
where:
Base-Base interactions energy: -1145.791
where: short stacking energy: -494.153
Base-Backbone interact. energy: -0.593
local terms energy: -560.531532
where:
bonds (distance) C4'-P energy: -109.651
bonds (distance) P-C4' energy: -115.698
flat angles C4'-P-C4' energy: -123.864
flat angles P-C4'-P energy: -75.670
tors. eta vs tors. theta energy: -135.649
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: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1574.365777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.365777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.365777 (E_RNA)
where:
Base-Base interactions energy: -1010.988
where: short stacking energy: -464.120
Base-Backbone interact. energy: 5.216
local terms energy: -568.594222
where:
bonds (distance) C4'-P energy: -120.719
bonds (distance) P-C4' energy: -122.158
flat angles C4'-P-C4' energy: -130.831
flat angles P-C4'-P energy: -86.779
tors. eta vs tors. theta energy: -108.107
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: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1188.532269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.532269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.532269 (E_RNA)
where:
Base-Base interactions energy: -715.117
where: short stacking energy: -340.720
Base-Backbone interact. energy: 1.603
local terms energy: -475.018075
where:
bonds (distance) C4'-P energy: -111.326
bonds (distance) P-C4' energy: -115.188
flat angles C4'-P-C4' energy: -115.784
flat angles P-C4'-P energy: -75.594
tors. eta vs tors. theta energy: -57.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1099.218614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.218614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.218614 (E_RNA)
where:
Base-Base interactions energy: -688.488
where: short stacking energy: -298.110
Base-Backbone interact. energy: 2.235
local terms energy: -412.965833
where:
bonds (distance) C4'-P energy: -117.074
bonds (distance) P-C4' energy: -109.820
flat angles C4'-P-C4' energy: -93.203
flat angles P-C4'-P energy: -67.563
tors. eta vs tors. theta energy: -25.305
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: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -995.778832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.778832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.778832 (E_RNA)
where:
Base-Base interactions energy: -538.062
where: short stacking energy: -258.074
Base-Backbone interact. energy: -3.432
local terms energy: -454.285491
where:
bonds (distance) C4'-P energy: -122.366
bonds (distance) P-C4' energy: -116.640
flat angles C4'-P-C4' energy: -109.010
flat angles P-C4'-P energy: -67.148
tors. eta vs tors. theta energy: -39.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -746.169781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.169781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.169781 (E_RNA)
where:
Base-Base interactions energy: -384.394
where: short stacking energy: -218.991
Base-Backbone interact. energy: -2.351
local terms energy: -359.424264
where:
bonds (distance) C4'-P energy: -77.918
bonds (distance) P-C4' energy: -125.239
flat angles C4'-P-C4' energy: -105.024
flat angles P-C4'-P energy: -56.978
tors. eta vs tors. theta energy: 5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2249.021607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.021607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.021607 (E_RNA)
where:
Base-Base interactions energy: -1519.849
where: short stacking energy: -638.509
Base-Backbone interact. energy: -5.038
local terms energy: -724.135089
where:
bonds (distance) C4'-P energy: -135.967
bonds (distance) P-C4' energy: -147.106
flat angles C4'-P-C4' energy: -148.104
flat angles P-C4'-P energy: -105.067
tors. eta vs tors. theta energy: -187.891
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: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2063.416024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.416024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.416024 (E_RNA)
where:
Base-Base interactions energy: -1374.538
where: short stacking energy: -636.485
Base-Backbone interact. energy: -3.546
local terms energy: -685.331679
where:
bonds (distance) C4'-P energy: -141.424
bonds (distance) P-C4' energy: -136.478
flat angles C4'-P-C4' energy: -138.113
flat angles P-C4'-P energy: -89.244
tors. eta vs tors. theta energy: -180.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1942.125615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.125615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.125615 (E_RNA)
where:
Base-Base interactions energy: -1262.517
where: short stacking energy: -594.028
Base-Backbone interact. energy: -4.449
local terms energy: -675.160194
where:
bonds (distance) C4'-P energy: -126.460
bonds (distance) P-C4' energy: -127.685
flat angles C4'-P-C4' energy: -160.046
flat angles P-C4'-P energy: -91.146
tors. eta vs tors. theta energy: -169.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1815.825938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.825938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.825938 (E_RNA)
where:
Base-Base interactions energy: -1190.063
where: short stacking energy: -532.138
Base-Backbone interact. energy: -1.073
local terms energy: -624.690803
where:
bonds (distance) C4'-P energy: -137.086
bonds (distance) P-C4' energy: -118.052
flat angles C4'-P-C4' energy: -143.483
flat angles P-C4'-P energy: -81.576
tors. eta vs tors. theta energy: -144.494
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: 86
Temperature: 1.100000
Total energy: -1698.605871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.605871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.605871 (E_RNA)
where:
Base-Base interactions energy: -1132.759
where: short stacking energy: -492.986
Base-Backbone interact. energy: -4.429
local terms energy: -561.418201
where:
bonds (distance) C4'-P energy: -116.733
bonds (distance) P-C4' energy: -113.808
flat angles C4'-P-C4' energy: -130.153
flat angles P-C4'-P energy: -74.559
tors. eta vs tors. theta energy: -126.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1541.523032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.523032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.523032 (E_RNA)
where:
Base-Base interactions energy: -970.598
where: short stacking energy: -468.456
Base-Backbone interact. energy: 0.624
local terms energy: -571.549314
where:
bonds (distance) C4'-P energy: -120.358
bonds (distance) P-C4' energy: -112.893
flat angles C4'-P-C4' energy: -137.443
flat angles P-C4'-P energy: -82.919
tors. eta vs tors. theta energy: -117.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1187.603903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.603903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.603903 (E_RNA)
where:
Base-Base interactions energy: -706.099
where: short stacking energy: -332.640
Base-Backbone interact. energy: 0.947
local terms energy: -482.452611
where:
bonds (distance) C4'-P energy: -110.543
bonds (distance) P-C4' energy: -126.026
flat angles C4'-P-C4' energy: -117.950
flat angles P-C4'-P energy: -75.837
tors. eta vs tors. theta energy: -52.096
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: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1055.662958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.662958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.662958 (E_RNA)
where:
Base-Base interactions energy: -626.748
where: short stacking energy: -283.816
Base-Backbone interact. energy: -2.696
local terms energy: -426.218818
where:
bonds (distance) C4'-P energy: -102.795
bonds (distance) P-C4' energy: -111.904
flat angles C4'-P-C4' energy: -98.766
flat angles P-C4'-P energy: -72.569
tors. eta vs tors. theta energy: -40.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -941.780540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.780540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.780540 (E_RNA)
where:
Base-Base interactions energy: -509.268
where: short stacking energy: -254.158
Base-Backbone interact. energy: 3.238
local terms energy: -435.751038
where:
bonds (distance) C4'-P energy: -118.497
bonds (distance) P-C4' energy: -135.266
flat angles C4'-P-C4' energy: -101.364
flat angles P-C4'-P energy: -55.955
tors. eta vs tors. theta energy: -24.669
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: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -753.090324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.090324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.090324 (E_RNA)
where:
Base-Base interactions energy: -400.393
where: short stacking energy: -211.884
Base-Backbone interact. energy: -1.246
local terms energy: -351.451926
where:
bonds (distance) C4'-P energy: -89.892
bonds (distance) P-C4' energy: -110.780
flat angles C4'-P-C4' energy: -95.541
flat angles P-C4'-P energy: -52.634
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: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2248.336769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.336769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.336769 (E_RNA)
where:
Base-Base interactions energy: -1558.701
where: short stacking energy: -644.967
Base-Backbone interact. energy: -2.096
local terms energy: -687.539842
where:
bonds (distance) C4'-P energy: -120.424
bonds (distance) P-C4' energy: -142.541
flat angles C4'-P-C4' energy: -144.572
flat angles P-C4'-P energy: -98.908
tors. eta vs tors. theta energy: -181.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2054.587406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.587406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.587406 (E_RNA)
where:
Base-Base interactions energy: -1358.725
where: short stacking energy: -592.466
Base-Backbone interact. energy: 2.116
local terms energy: -697.978420
where:
bonds (distance) C4'-P energy: -130.476
bonds (distance) P-C4' energy: -143.110
flat angles C4'-P-C4' energy: -148.204
flat angles P-C4'-P energy: -100.495
tors. eta vs tors. theta energy: -175.692
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: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1972.667092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.667092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.667092 (E_RNA)
where:
Base-Base interactions energy: -1296.790
where: short stacking energy: -593.425
Base-Backbone interact. energy: -2.108
local terms energy: -673.768889
where:
bonds (distance) C4'-P energy: -132.495
bonds (distance) P-C4' energy: -131.608
flat angles C4'-P-C4' energy: -140.736
flat angles P-C4'-P energy: -105.112
tors. eta vs tors. theta energy: -163.818
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: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1762.553501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.553501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.553501 (E_RNA)
where:
Base-Base interactions energy: -1147.413
where: short stacking energy: -541.127
Base-Backbone interact. energy: -1.736
local terms energy: -613.404122
where:
bonds (distance) C4'-P energy: -116.710
bonds (distance) P-C4' energy: -126.723
flat angles C4'-P-C4' energy: -137.818
flat angles P-C4'-P energy: -85.292
tors. eta vs tors. theta energy: -146.862
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: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1724.171326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.171326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.171326 (E_RNA)
where:
Base-Base interactions energy: -1129.743
where: short stacking energy: -503.433
Base-Backbone interact. energy: 0.802
local terms energy: -595.230640
where:
bonds (distance) C4'-P energy: -131.393
bonds (distance) P-C4' energy: -129.902
flat angles C4'-P-C4' energy: -118.844
flat angles P-C4'-P energy: -83.904
tors. eta vs tors. theta energy: -131.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1537.033624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.033624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.033624 (E_RNA)
where:
Base-Base interactions energy: -965.641
where: short stacking energy: -436.129
Base-Backbone interact. energy: 3.573
local terms energy: -574.965299
where:
bonds (distance) C4'-P energy: -126.324
bonds (distance) P-C4' energy: -112.817
flat angles C4'-P-C4' energy: -131.160
flat angles P-C4'-P energy: -90.033
tors. eta vs tors. theta energy: -114.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1175.077920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.077920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.077920 (E_RNA)
where:
Base-Base interactions energy: -692.840
where: short stacking energy: -345.458
Base-Backbone interact. energy: -3.458
local terms energy: -478.779908
where:
bonds (distance) C4'-P energy: -94.202
bonds (distance) P-C4' energy: -113.850
flat angles C4'-P-C4' energy: -124.994
flat angles P-C4'-P energy: -79.269
tors. eta vs tors. theta energy: -66.465
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: 87
Temperature: 1.250000
Total energy: -1020.646872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.646872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.646872 (E_RNA)
where:
Base-Base interactions energy: -554.101
where: short stacking energy: -295.118
Base-Backbone interact. energy: -1.175
local terms energy: -465.371555
where:
bonds (distance) C4'-P energy: -117.902
bonds (distance) P-C4' energy: -116.443
flat angles C4'-P-C4' energy: -118.257
flat angles P-C4'-P energy: -54.060
tors. eta vs tors. theta energy: -58.710
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: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -939.121242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.121242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.121242 (E_RNA)
where:
Base-Base interactions energy: -555.010
where: short stacking energy: -285.368
Base-Backbone interact. energy: -4.220
local terms energy: -379.891320
where:
bonds (distance) C4'-P energy: -99.689
bonds (distance) P-C4' energy: -89.517
flat angles C4'-P-C4' energy: -101.363
flat angles P-C4'-P energy: -59.114
tors. eta vs tors. theta energy: -30.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -733.887389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.887389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.887389 (E_RNA)
where:
Base-Base interactions energy: -370.433
where: short stacking energy: -192.100
Base-Backbone interact. energy: 0.460
local terms energy: -363.914080
where:
bonds (distance) C4'-P energy: -104.380
bonds (distance) P-C4' energy: -119.784
flat angles C4'-P-C4' energy: -102.381
flat angles P-C4'-P energy: -58.021
tors. eta vs tors. theta energy: 20.652
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: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2263.185711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.185711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.185711 (E_RNA)
where:
Base-Base interactions energy: -1559.937
where: short stacking energy: -650.409
Base-Backbone interact. energy: -2.592
local terms energy: -700.656916
where:
bonds (distance) C4'-P energy: -130.444
bonds (distance) P-C4' energy: -129.893
flat angles C4'-P-C4' energy: -161.113
flat angles P-C4'-P energy: -96.210
tors. eta vs tors. theta energy: -182.997
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: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2085.166729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.166729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.166729 (E_RNA)
where:
Base-Base interactions energy: -1415.664
where: short stacking energy: -647.267
Base-Backbone interact. energy: -0.101
local terms energy: -669.402190
where:
bonds (distance) C4'-P energy: -127.262
bonds (distance) P-C4' energy: -121.373
flat angles C4'-P-C4' energy: -140.104
flat angles P-C4'-P energy: -92.236
tors. eta vs tors. theta energy: -188.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1970.669611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.669611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.669611 (E_RNA)
where:
Base-Base interactions energy: -1291.026
where: short stacking energy: -579.969
Base-Backbone interact. energy: -0.651
local terms energy: -678.993044
where:
bonds (distance) C4'-P energy: -127.015
bonds (distance) P-C4' energy: -130.033
flat angles C4'-P-C4' energy: -150.579
flat angles P-C4'-P energy: -99.643
tors. eta vs tors. theta energy: -171.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1826.758984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.758984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.758984 (E_RNA)
where:
Base-Base interactions energy: -1216.094
where: short stacking energy: -556.357
Base-Backbone interact. energy: -2.776
local terms energy: -607.889234
where:
bonds (distance) C4'-P energy: -123.901
bonds (distance) P-C4' energy: -124.651
flat angles C4'-P-C4' energy: -121.996
flat angles P-C4'-P energy: -82.320
tors. eta vs tors. theta energy: -155.021
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: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1704.391868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.391868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.391868 (E_RNA)
where:
Base-Base interactions energy: -1125.666
where: short stacking energy: -489.733
Base-Backbone interact. energy: -0.191
local terms energy: -578.534507
where:
bonds (distance) C4'-P energy: -113.857
bonds (distance) P-C4' energy: -128.913
flat angles C4'-P-C4' energy: -133.605
flat angles P-C4'-P energy: -84.187
tors. eta vs tors. theta energy: -117.972
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: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1556.538402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.538402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.538402 (E_RNA)
where:
Base-Base interactions energy: -993.639
where: short stacking energy: -447.507
Base-Backbone interact. energy: 0.967
local terms energy: -563.867307
where:
bonds (distance) C4'-P energy: -108.382
bonds (distance) P-C4' energy: -117.532
flat angles C4'-P-C4' energy: -135.678
flat angles P-C4'-P energy: -87.902
tors. eta vs tors. theta energy: -114.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1184.631169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.631169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.631169 (E_RNA)
where:
Base-Base interactions energy: -706.621
where: short stacking energy: -388.974
Base-Backbone interact. energy: 1.626
local terms energy: -479.636351
where:
bonds (distance) C4'-P energy: -120.087
bonds (distance) P-C4' energy: -105.258
flat angles C4'-P-C4' energy: -115.820
flat angles P-C4'-P energy: -58.510
tors. eta vs tors. theta energy: -79.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1021.257624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.257624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.257624 (E_RNA)
where:
Base-Base interactions energy: -572.412
where: short stacking energy: -304.729
Base-Backbone interact. energy: -2.124
local terms energy: -446.721280
where:
bonds (distance) C4'-P energy: -119.260
bonds (distance) P-C4' energy: -118.805
flat angles C4'-P-C4' energy: -98.646
flat angles P-C4'-P energy: -67.779
tors. eta vs tors. theta energy: -42.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -957.629085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.629085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.629085 (E_RNA)
where:
Base-Base interactions energy: -561.450
where: short stacking energy: -288.431
Base-Backbone interact. energy: 4.026
local terms energy: -400.204894
where:
bonds (distance) C4'-P energy: -97.423
bonds (distance) P-C4' energy: -120.314
flat angles C4'-P-C4' energy: -91.449
flat angles P-C4'-P energy: -49.787
tors. eta vs tors. theta energy: -41.231
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: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -721.176494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.176494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.176494 (E_RNA)
where:
Base-Base interactions energy: -368.482
where: short stacking energy: -225.306
Base-Backbone interact. energy: -0.265
local terms energy: -352.429504
where:
bonds (distance) C4'-P energy: -116.168
bonds (distance) P-C4' energy: -82.986
flat angles C4'-P-C4' energy: -92.451
flat angles P-C4'-P energy: -50.821
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2247.673123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.673123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.673123 (E_RNA)
where:
Base-Base interactions energy: -1535.419
where: short stacking energy: -650.160
Base-Backbone interact. energy: -4.918
local terms energy: -707.336323
where:
bonds (distance) C4'-P energy: -130.448
bonds (distance) P-C4' energy: -132.821
flat angles C4'-P-C4' energy: -152.233
flat angles P-C4'-P energy: -99.337
tors. eta vs tors. theta energy: -192.497
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: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2090.190299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.190299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.190299 (E_RNA)
where:
Base-Base interactions energy: -1424.244
where: short stacking energy: -634.012
Base-Backbone interact. energy: 2.322
local terms energy: -668.267529
where:
bonds (distance) C4'-P energy: -127.458
bonds (distance) P-C4' energy: -117.346
flat angles C4'-P-C4' energy: -144.823
flat angles P-C4'-P energy: -91.824
tors. eta vs tors. theta energy: -186.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1931.435183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.435183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.435183 (E_RNA)
where:
Base-Base interactions energy: -1258.705
where: short stacking energy: -562.849
Base-Backbone interact. energy: -2.198
local terms energy: -670.531929
where:
bonds (distance) C4'-P energy: -133.014
bonds (distance) P-C4' energy: -124.423
flat angles C4'-P-C4' energy: -146.364
flat angles P-C4'-P energy: -96.306
tors. eta vs tors. theta energy: -170.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1795.942761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.942761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.942761 (E_RNA)
where:
Base-Base interactions energy: -1195.417
where: short stacking energy: -552.872
Base-Backbone interact. energy: -2.049
local terms energy: -598.476822
where:
bonds (distance) C4'-P energy: -118.380
bonds (distance) P-C4' energy: -128.520
flat angles C4'-P-C4' energy: -130.612
flat angles P-C4'-P energy: -75.684
tors. eta vs tors. theta energy: -145.282
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: 89
Temperature: 1.100000
Total energy: -1687.347919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.347919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.347919 (E_RNA)
where:
Base-Base interactions energy: -1126.262
where: short stacking energy: -500.616
Base-Backbone interact. energy: -2.523
local terms energy: -558.563615
where:
bonds (distance) C4'-P energy: -133.983
bonds (distance) P-C4' energy: -116.113
flat angles C4'-P-C4' energy: -111.638
flat angles P-C4'-P energy: -83.599
tors. eta vs tors. theta energy: -113.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1506.202064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.202064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.202064 (E_RNA)
where:
Base-Base interactions energy: -964.996
where: short stacking energy: -441.307
Base-Backbone interact. energy: 0.045
local terms energy: -541.250476
where:
bonds (distance) C4'-P energy: -90.928
bonds (distance) P-C4' energy: -117.272
flat angles C4'-P-C4' energy: -132.155
flat angles P-C4'-P energy: -85.700
tors. eta vs tors. theta energy: -115.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1211.831564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.831564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.831564 (E_RNA)
where:
Base-Base interactions energy: -758.999
where: short stacking energy: -342.684
Base-Backbone interact. energy: 1.350
local terms energy: -454.181819
where:
bonds (distance) C4'-P energy: -102.227
bonds (distance) P-C4' energy: -123.880
flat angles C4'-P-C4' energy: -111.431
flat angles P-C4'-P energy: -50.928
tors. eta vs tors. theta energy: -65.717
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: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1020.696415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.696415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.696415 (E_RNA)
where:
Base-Base interactions energy: -589.683
where: short stacking energy: -279.835
Base-Backbone interact. energy: -0.198
local terms energy: -430.816169
where:
bonds (distance) C4'-P energy: -102.886
bonds (distance) P-C4' energy: -117.482
flat angles C4'-P-C4' energy: -89.238
flat angles P-C4'-P energy: -73.932
tors. eta vs tors. theta energy: -47.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1000.682889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.682889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.682889 (E_RNA)
where:
Base-Base interactions energy: -610.984
where: short stacking energy: -278.640
Base-Backbone interact. energy: -0.730
local terms energy: -388.968768
where:
bonds (distance) C4'-P energy: -98.255
bonds (distance) P-C4' energy: -99.938
flat angles C4'-P-C4' energy: -107.621
flat angles P-C4'-P energy: -47.980
tors. eta vs tors. theta energy: -35.175
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: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -695.616012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.616012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.616012 (E_RNA)
where:
Base-Base interactions energy: -329.325
where: short stacking energy: -199.484
Base-Backbone interact. energy: 0.894
local terms energy: -367.185393
where:
bonds (distance) C4'-P energy: -103.625
bonds (distance) P-C4' energy: -113.450
flat angles C4'-P-C4' energy: -95.901
flat angles P-C4'-P energy: -54.389
tors. eta vs tors. theta energy: 0.179
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: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2209.639540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.639540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.639540 (E_RNA)
where:
Base-Base interactions energy: -1504.209
where: short stacking energy: -628.598
Base-Backbone interact. energy: -0.333
local terms energy: -705.098270
where:
bonds (distance) C4'-P energy: -139.946
bonds (distance) P-C4' energy: -135.108
flat angles C4'-P-C4' energy: -156.849
flat angles P-C4'-P energy: -94.014
tors. eta vs tors. theta energy: -179.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2091.070017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.070017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.070017 (E_RNA)
where:
Base-Base interactions energy: -1416.170
where: short stacking energy: -637.281
Base-Backbone interact. energy: -1.989
local terms energy: -672.910409
where:
bonds (distance) C4'-P energy: -125.615
bonds (distance) P-C4' energy: -124.314
flat angles C4'-P-C4' energy: -146.060
flat angles P-C4'-P energy: -90.837
tors. eta vs tors. theta energy: -186.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1947.755558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.755558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.755558 (E_RNA)
where:
Base-Base interactions energy: -1301.542
where: short stacking energy: -614.263
Base-Backbone interact. energy: -0.581
local terms energy: -645.632867
where:
bonds (distance) C4'-P energy: -128.685
bonds (distance) P-C4' energy: -115.526
flat angles C4'-P-C4' energy: -131.215
flat angles P-C4'-P energy: -97.204
tors. eta vs tors. theta energy: -173.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1793.891238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.891238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.891238 (E_RNA)
where:
Base-Base interactions energy: -1197.106
where: short stacking energy: -530.646
Base-Backbone interact. energy: 0.255
local terms energy: -597.040626
where:
bonds (distance) C4'-P energy: -108.698
bonds (distance) P-C4' energy: -123.515
flat angles C4'-P-C4' energy: -148.826
flat angles P-C4'-P energy: -63.784
tors. eta vs tors. theta energy: -152.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1749.838494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.838494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.838494 (E_RNA)
where:
Base-Base interactions energy: -1164.223
where: short stacking energy: -524.449
Base-Backbone interact. energy: -0.638
local terms energy: -584.977492
where:
bonds (distance) C4'-P energy: -107.564
bonds (distance) P-C4' energy: -124.757
flat angles C4'-P-C4' energy: -130.377
flat angles P-C4'-P energy: -78.543
tors. eta vs tors. theta energy: -143.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1604.235912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.235912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.235912 (E_RNA)
where:
Base-Base interactions energy: -1061.140
where: short stacking energy: -491.097
Base-Backbone interact. energy: -0.478
local terms energy: -542.617892
where:
bonds (distance) C4'-P energy: -111.760
bonds (distance) P-C4' energy: -108.917
flat angles C4'-P-C4' energy: -129.196
flat angles P-C4'-P energy: -61.578
tors. eta vs tors. theta energy: -131.167
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: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1276.516630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.516630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.516630 (E_RNA)
where:
Base-Base interactions energy: -782.651
where: short stacking energy: -378.568
Base-Backbone interact. energy: -0.811
local terms energy: -493.054971
where:
bonds (distance) C4'-P energy: -103.107
bonds (distance) P-C4' energy: -123.433
flat angles C4'-P-C4' energy: -118.363
flat angles P-C4'-P energy: -77.437
tors. eta vs tors. theta energy: -70.714
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: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -991.669139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.669139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.669139 (E_RNA)
where:
Base-Base interactions energy: -577.973
where: short stacking energy: -272.300
Base-Backbone interact. energy: 6.616
local terms energy: -420.312168
where:
bonds (distance) C4'-P energy: -107.900
bonds (distance) P-C4' energy: -114.301
flat angles C4'-P-C4' energy: -89.747
flat angles P-C4'-P energy: -72.154
tors. eta vs tors. theta energy: -36.210
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: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -946.760732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.760732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.760732 (E_RNA)
where:
Base-Base interactions energy: -547.411
where: short stacking energy: -261.549
Base-Backbone interact. energy: -1.415
local terms energy: -397.934839
where:
bonds (distance) C4'-P energy: -96.038
bonds (distance) P-C4' energy: -118.143
flat angles C4'-P-C4' energy: -91.974
flat angles P-C4'-P energy: -74.637
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -701.954793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.954793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.954793 (E_RNA)
where:
Base-Base interactions energy: -328.762
where: short stacking energy: -184.645
Base-Backbone interact. energy: -1.215
local terms energy: -371.977562
where:
bonds (distance) C4'-P energy: -104.537
bonds (distance) P-C4' energy: -99.623
flat angles C4'-P-C4' energy: -99.748
flat angles P-C4'-P energy: -67.079
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2212.215051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.215051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.215051 (E_RNA)
where:
Base-Base interactions energy: -1521.758
where: short stacking energy: -624.440
Base-Backbone interact. energy: -1.853
local terms energy: -688.604770
where:
bonds (distance) C4'-P energy: -120.667
bonds (distance) P-C4' energy: -127.078
flat angles C4'-P-C4' energy: -159.702
flat angles P-C4'-P energy: -102.184
tors. eta vs tors. theta energy: -178.973
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: 91
Temperature: 0.950000
Total energy: -2041.289545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.289545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.289545 (E_RNA)
where:
Base-Base interactions energy: -1358.443
where: short stacking energy: -604.032
Base-Backbone interact. energy: -1.966
local terms energy: -680.880736
where:
bonds (distance) C4'-P energy: -128.906
bonds (distance) P-C4' energy: -141.752
flat angles C4'-P-C4' energy: -148.002
flat angles P-C4'-P energy: -93.098
tors. eta vs tors. theta energy: -169.122
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: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1956.450207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.450207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.450207 (E_RNA)
where:
Base-Base interactions energy: -1287.291
where: short stacking energy: -606.581
Base-Backbone interact. energy: -2.729
local terms energy: -666.430723
where:
bonds (distance) C4'-P energy: -125.313
bonds (distance) P-C4' energy: -134.811
flat angles C4'-P-C4' energy: -138.334
flat angles P-C4'-P energy: -102.392
tors. eta vs tors. theta energy: -165.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1784.616132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.616132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.616132 (E_RNA)
where:
Base-Base interactions energy: -1190.052
where: short stacking energy: -507.780
Base-Backbone interact. energy: -1.004
local terms energy: -593.560004
where:
bonds (distance) C4'-P energy: -121.774
bonds (distance) P-C4' energy: -119.948
flat angles C4'-P-C4' energy: -131.182
flat angles P-C4'-P energy: -98.676
tors. eta vs tors. theta energy: -121.981
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: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1787.106334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.106334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.106334 (E_RNA)
where:
Base-Base interactions energy: -1197.335
where: short stacking energy: -529.764
Base-Backbone interact. energy: -2.820
local terms energy: -586.950829
where:
bonds (distance) C4'-P energy: -103.563
bonds (distance) P-C4' energy: -130.094
flat angles C4'-P-C4' energy: -123.460
flat angles P-C4'-P energy: -90.738
tors. eta vs tors. theta energy: -139.096
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: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1529.378288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.378288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.378288 (E_RNA)
where:
Base-Base interactions energy: -982.636
where: short stacking energy: -450.984
Base-Backbone interact. energy: 0.365
local terms energy: -547.107310
where:
bonds (distance) C4'-P energy: -113.723
bonds (distance) P-C4' energy: -132.060
flat angles C4'-P-C4' energy: -129.415
flat angles P-C4'-P energy: -74.726
tors. eta vs tors. theta energy: -97.183
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: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1188.476485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.476485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.476485 (E_RNA)
where:
Base-Base interactions energy: -737.210
where: short stacking energy: -357.824
Base-Backbone interact. energy: 4.893
local terms energy: -456.159241
where:
bonds (distance) C4'-P energy: -102.520
bonds (distance) P-C4' energy: -115.464
flat angles C4'-P-C4' energy: -104.720
flat angles P-C4'-P energy: -69.828
tors. eta vs tors. theta energy: -63.626
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: 91
Temperature: 1.250000
Total energy: -1027.218596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.218596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.218596 (E_RNA)
where:
Base-Base interactions energy: -599.174
where: short stacking energy: -288.901
Base-Backbone interact. energy: -2.402
local terms energy: -425.642664
where:
bonds (distance) C4'-P energy: -98.568
bonds (distance) P-C4' energy: -116.691
flat angles C4'-P-C4' energy: -113.058
flat angles P-C4'-P energy: -67.870
tors. eta vs tors. theta energy: -29.456
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: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -990.428808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.428808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.428808 (E_RNA)
where:
Base-Base interactions energy: -581.585
where: short stacking energy: -275.983
Base-Backbone interact. energy: 1.869
local terms energy: -410.712520
where:
bonds (distance) C4'-P energy: -115.075
bonds (distance) P-C4' energy: -119.637
flat angles C4'-P-C4' energy: -105.462
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -722.930508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.930508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.930508 (E_RNA)
where:
Base-Base interactions energy: -366.317
where: short stacking energy: -216.819
Base-Backbone interact. energy: 0.213
local terms energy: -356.825904
where:
bonds (distance) C4'-P energy: -92.454
bonds (distance) P-C4' energy: -103.844
flat angles C4'-P-C4' energy: -107.140
flat angles P-C4'-P energy: -56.466
tors. eta vs tors. theta energy: 3.077
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: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2209.748848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.748848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.748848 (E_RNA)
where:
Base-Base interactions energy: -1537.650
where: short stacking energy: -638.237
Base-Backbone interact. energy: 2.179
local terms energy: -674.277754
where:
bonds (distance) C4'-P energy: -123.031
bonds (distance) P-C4' energy: -136.472
flat angles C4'-P-C4' energy: -153.253
flat angles P-C4'-P energy: -87.606
tors. eta vs tors. theta energy: -173.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2052.631537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.631537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.631537 (E_RNA)
where:
Base-Base interactions energy: -1393.991
where: short stacking energy: -613.679
Base-Backbone interact. energy: -3.288
local terms energy: -655.352944
where:
bonds (distance) C4'-P energy: -136.394
bonds (distance) P-C4' energy: -120.260
flat angles C4'-P-C4' energy: -148.392
flat angles P-C4'-P energy: -85.031
tors. eta vs tors. theta energy: -165.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1967.597271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.597271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.597271 (E_RNA)
where:
Base-Base interactions energy: -1319.321
where: short stacking energy: -600.121
Base-Backbone interact. energy: -1.177
local terms energy: -647.098901
where:
bonds (distance) C4'-P energy: -121.427
bonds (distance) P-C4' energy: -124.754
flat angles C4'-P-C4' energy: -151.949
flat angles P-C4'-P energy: -85.363
tors. eta vs tors. theta energy: -163.606
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: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1799.422183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.422183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.422183 (E_RNA)
where:
Base-Base interactions energy: -1175.437
where: short stacking energy: -528.330
Base-Backbone interact. energy: 1.492
local terms energy: -625.477285
where:
bonds (distance) C4'-P energy: -129.292
bonds (distance) P-C4' energy: -127.232
flat angles C4'-P-C4' energy: -130.584
flat angles P-C4'-P energy: -99.593
tors. eta vs tors. theta energy: -138.776
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: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1716.537211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.537211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.537211 (E_RNA)
where:
Base-Base interactions energy: -1112.699
where: short stacking energy: -514.427
Base-Backbone interact. energy: -1.229
local terms energy: -602.609245
where:
bonds (distance) C4'-P energy: -127.706
bonds (distance) P-C4' energy: -134.268
flat angles C4'-P-C4' energy: -125.620
flat angles P-C4'-P energy: -76.464
tors. eta vs tors. theta energy: -138.550
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: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1537.555721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.555721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.555721 (E_RNA)
where:
Base-Base interactions energy: -1002.541
where: short stacking energy: -458.656
Base-Backbone interact. energy: -2.551
local terms energy: -532.463475
where:
bonds (distance) C4'-P energy: -113.283
bonds (distance) P-C4' energy: -111.398
flat angles C4'-P-C4' energy: -123.403
flat angles P-C4'-P energy: -79.964
tors. eta vs tors. theta energy: -104.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1130.372063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.372063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.372063 (E_RNA)
where:
Base-Base interactions energy: -696.278
where: short stacking energy: -331.612
Base-Backbone interact. energy: 1.690
local terms energy: -435.784144
where:
bonds (distance) C4'-P energy: -88.976
bonds (distance) P-C4' energy: -108.900
flat angles C4'-P-C4' energy: -118.436
flat angles P-C4'-P energy: -66.339
tors. eta vs tors. theta energy: -53.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1073.385965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.385965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.385965 (E_RNA)
where:
Base-Base interactions energy: -619.929
where: short stacking energy: -339.007
Base-Backbone interact. energy: 0.830
local terms energy: -454.286883
where:
bonds (distance) C4'-P energy: -105.537
bonds (distance) P-C4' energy: -125.569
flat angles C4'-P-C4' energy: -101.756
flat angles P-C4'-P energy: -66.794
tors. eta vs tors. theta energy: -54.631
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: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -961.180704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.180704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.180704 (E_RNA)
where:
Base-Base interactions energy: -543.636
where: short stacking energy: -264.291
Base-Backbone interact. energy: -0.933
local terms energy: -416.611819
where:
bonds (distance) C4'-P energy: -119.497
bonds (distance) P-C4' energy: -113.104
flat angles C4'-P-C4' energy: -102.076
flat angles P-C4'-P energy: -53.030
tors. eta vs tors. theta energy: -28.905
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: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -715.155655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.155655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.155655 (E_RNA)
where:
Base-Base interactions energy: -369.637
where: short stacking energy: -194.449
Base-Backbone interact. energy: 3.571
local terms energy: -349.089619
where:
bonds (distance) C4'-P energy: -115.383
bonds (distance) P-C4' energy: -109.635
flat angles C4'-P-C4' energy: -93.363
flat angles P-C4'-P energy: -49.175
tors. eta vs tors. theta energy: 18.466
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: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2220.265090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.265090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.265090 (E_RNA)
where:
Base-Base interactions energy: -1541.529
where: short stacking energy: -641.652
Base-Backbone interact. energy: -5.366
local terms energy: -673.370523
where:
bonds (distance) C4'-P energy: -128.730
bonds (distance) P-C4' energy: -129.788
flat angles C4'-P-C4' energy: -135.508
flat angles P-C4'-P energy: -105.031
tors. eta vs tors. theta energy: -174.312
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: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2065.148519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.148519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.148519 (E_RNA)
where:
Base-Base interactions energy: -1399.833
where: short stacking energy: -602.918
Base-Backbone interact. energy: -0.708
local terms energy: -664.607861
where:
bonds (distance) C4'-P energy: -144.105
bonds (distance) P-C4' energy: -113.758
flat angles C4'-P-C4' energy: -134.413
flat angles P-C4'-P energy: -88.731
tors. eta vs tors. theta energy: -183.600
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: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2033.336334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.336334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.336334 (E_RNA)
where:
Base-Base interactions energy: -1368.908
where: short stacking energy: -606.409
Base-Backbone interact. energy: -1.417
local terms energy: -663.010675
where:
bonds (distance) C4'-P energy: -120.951
bonds (distance) P-C4' energy: -121.918
flat angles C4'-P-C4' energy: -143.918
flat angles P-C4'-P energy: -95.785
tors. eta vs tors. theta energy: -180.440
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: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1794.597137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.597137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.597137 (E_RNA)
where:
Base-Base interactions energy: -1173.570
where: short stacking energy: -548.017
Base-Backbone interact. energy: -3.018
local terms energy: -618.008348
where:
bonds (distance) C4'-P energy: -119.809
bonds (distance) P-C4' energy: -142.283
flat angles C4'-P-C4' energy: -133.530
flat angles P-C4'-P energy: -79.595
tors. eta vs tors. theta energy: -142.791
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: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1763.968061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.968061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.968061 (E_RNA)
where:
Base-Base interactions energy: -1179.810
where: short stacking energy: -528.665
Base-Backbone interact. energy: -1.364
local terms energy: -582.794496
where:
bonds (distance) C4'-P energy: -106.970
bonds (distance) P-C4' energy: -117.208
flat angles C4'-P-C4' energy: -128.416
flat angles P-C4'-P energy: -82.844
tors. eta vs tors. theta energy: -147.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1549.605800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.605800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.605800 (E_RNA)
where:
Base-Base interactions energy: -1014.864
where: short stacking energy: -474.555
Base-Backbone interact. energy: -0.675
local terms energy: -534.066750
where:
bonds (distance) C4'-P energy: -103.479
bonds (distance) P-C4' energy: -108.537
flat angles C4'-P-C4' energy: -138.595
flat angles P-C4'-P energy: -61.652
tors. eta vs tors. theta energy: -121.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1158.396670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.396670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.396670 (E_RNA)
where:
Base-Base interactions energy: -701.181
where: short stacking energy: -358.910
Base-Backbone interact. energy: -1.014
local terms energy: -456.201627
where:
bonds (distance) C4'-P energy: -111.082
bonds (distance) P-C4' energy: -106.890
flat angles C4'-P-C4' energy: -106.980
flat angles P-C4'-P energy: -66.194
tors. eta vs tors. theta energy: -65.055
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: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1023.756436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.756436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.756436 (E_RNA)
where:
Base-Base interactions energy: -561.292
where: short stacking energy: -277.351
Base-Backbone interact. energy: 1.542
local terms energy: -464.006034
where:
bonds (distance) C4'-P energy: -111.343
bonds (distance) P-C4' energy: -115.352
flat angles C4'-P-C4' energy: -102.448
flat angles P-C4'-P energy: -89.981
tors. eta vs tors. theta energy: -44.882
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: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -968.343445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.343445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.343445 (E_RNA)
where:
Base-Base interactions energy: -579.419
where: short stacking energy: -286.862
Base-Backbone interact. energy: 3.319
local terms energy: -392.243433
where:
bonds (distance) C4'-P energy: -104.355
bonds (distance) P-C4' energy: -115.204
flat angles C4'-P-C4' energy: -88.334
flat angles P-C4'-P energy: -50.214
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: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -765.680997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.680997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.680997 (E_RNA)
where:
Base-Base interactions energy: -381.723
where: short stacking energy: -227.702
Base-Backbone interact. energy: -0.065
local terms energy: -383.892870
where:
bonds (distance) C4'-P energy: -99.286
bonds (distance) P-C4' energy: -106.818
flat angles C4'-P-C4' energy: -103.372
flat angles P-C4'-P energy: -59.248
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2207.992613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.992613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.992613 (E_RNA)
where:
Base-Base interactions energy: -1542.261
where: short stacking energy: -631.782
Base-Backbone interact. energy: 2.717
local terms energy: -668.448677
where:
bonds (distance) C4'-P energy: -124.941
bonds (distance) P-C4' energy: -137.823
flat angles C4'-P-C4' energy: -151.942
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -164.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2055.126459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.126459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.126459 (E_RNA)
where:
Base-Base interactions energy: -1385.701
where: short stacking energy: -626.011
Base-Backbone interact. energy: 0.372
local terms energy: -669.797399
where:
bonds (distance) C4'-P energy: -130.785
bonds (distance) P-C4' energy: -120.380
flat angles C4'-P-C4' energy: -142.511
flat angles P-C4'-P energy: -101.276
tors. eta vs tors. theta energy: -174.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2016.734824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.734824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.734824 (E_RNA)
where:
Base-Base interactions energy: -1355.205
where: short stacking energy: -640.372
Base-Backbone interact. energy: -2.120
local terms energy: -659.410110
where:
bonds (distance) C4'-P energy: -116.379
bonds (distance) P-C4' energy: -130.936
flat angles C4'-P-C4' energy: -136.837
flat angles P-C4'-P energy: -97.336
tors. eta vs tors. theta energy: -177.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1818.269422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.269422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.269422 (E_RNA)
where:
Base-Base interactions energy: -1184.082
where: short stacking energy: -532.345
Base-Backbone interact. energy: 0.288
local terms energy: -634.475467
where:
bonds (distance) C4'-P energy: -127.383
bonds (distance) P-C4' energy: -120.033
flat angles C4'-P-C4' energy: -126.802
flat angles P-C4'-P energy: -99.162
tors. eta vs tors. theta energy: -161.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1661.065702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.065702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.065702 (E_RNA)
where:
Base-Base interactions energy: -1082.094
where: short stacking energy: -473.080
Base-Backbone interact. energy: -2.612
local terms energy: -576.359349
where:
bonds (distance) C4'-P energy: -120.694
bonds (distance) P-C4' energy: -122.894
flat angles C4'-P-C4' energy: -128.873
flat angles P-C4'-P energy: -75.350
tors. eta vs tors. theta energy: -128.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1599.171791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.171791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.171791 (E_RNA)
where:
Base-Base interactions energy: -1054.488
where: short stacking energy: -464.647
Base-Backbone interact. energy: -1.598
local terms energy: -543.085939
where:
bonds (distance) C4'-P energy: -121.601
bonds (distance) P-C4' energy: -111.598
flat angles C4'-P-C4' energy: -127.781
flat angles P-C4'-P energy: -75.578
tors. eta vs tors. theta energy: -106.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1204.959511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.959511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.959511 (E_RNA)
where:
Base-Base interactions energy: -738.996
where: short stacking energy: -362.248
Base-Backbone interact. energy: 1.660
local terms energy: -467.623971
where:
bonds (distance) C4'-P energy: -112.588
bonds (distance) P-C4' energy: -111.788
flat angles C4'-P-C4' energy: -106.131
flat angles P-C4'-P energy: -69.092
tors. eta vs tors. theta energy: -68.025
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: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1089.968202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.968202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.968202 (E_RNA)
where:
Base-Base interactions energy: -618.613
where: short stacking energy: -298.272
Base-Backbone interact. energy: -2.413
local terms energy: -468.941678
where:
bonds (distance) C4'-P energy: -113.639
bonds (distance) P-C4' energy: -130.983
flat angles C4'-P-C4' energy: -105.103
flat angles P-C4'-P energy: -57.633
tors. eta vs tors. theta energy: -61.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -970.494707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.494707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.494707 (E_RNA)
where:
Base-Base interactions energy: -573.426
where: short stacking energy: -283.020
Base-Backbone interact. energy: -2.675
local terms energy: -394.393431
where:
bonds (distance) C4'-P energy: -95.632
bonds (distance) P-C4' energy: -98.642
flat angles C4'-P-C4' energy: -117.464
flat angles P-C4'-P energy: -47.538
tors. eta vs tors. theta energy: -35.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -754.391697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.391697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.391697 (E_RNA)
where:
Base-Base interactions energy: -402.752
where: short stacking energy: -220.778
Base-Backbone interact. energy: 1.783
local terms energy: -353.423322
where:
bonds (distance) C4'-P energy: -104.680
bonds (distance) P-C4' energy: -101.273
flat angles C4'-P-C4' energy: -84.258
flat angles P-C4'-P energy: -63.043
tors. eta vs tors. theta energy: -0.169
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: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2245.889736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.889736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.889736 (E_RNA)
where:
Base-Base interactions energy: -1546.995
where: short stacking energy: -665.076
Base-Backbone interact. energy: 1.093
local terms energy: -699.987314
where:
bonds (distance) C4'-P energy: -128.433
bonds (distance) P-C4' energy: -135.055
flat angles C4'-P-C4' energy: -146.328
flat angles P-C4'-P energy: -101.688
tors. eta vs tors. theta energy: -188.483
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: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2086.638700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.638700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.638700 (E_RNA)
where:
Base-Base interactions energy: -1407.454
where: short stacking energy: -650.311
Base-Backbone interact. energy: -1.637
local terms energy: -677.547451
where:
bonds (distance) C4'-P energy: -129.304
bonds (distance) P-C4' energy: -128.138
flat angles C4'-P-C4' energy: -161.079
flat angles P-C4'-P energy: -87.481
tors. eta vs tors. theta energy: -171.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2007.725362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.725362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.725362 (E_RNA)
where:
Base-Base interactions energy: -1344.666
where: short stacking energy: -620.038
Base-Backbone interact. energy: -1.285
local terms energy: -661.774110
where:
bonds (distance) C4'-P energy: -130.953
bonds (distance) P-C4' energy: -117.467
flat angles C4'-P-C4' energy: -147.154
flat angles P-C4'-P energy: -84.900
tors. eta vs tors. theta energy: -181.300
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: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1854.024980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.024980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.024980 (E_RNA)
where:
Base-Base interactions energy: -1248.691
where: short stacking energy: -565.564
Base-Backbone interact. energy: -1.719
local terms energy: -603.615003
where:
bonds (distance) C4'-P energy: -115.330
bonds (distance) P-C4' energy: -115.666
flat angles C4'-P-C4' energy: -133.692
flat angles P-C4'-P energy: -86.681
tors. eta vs tors. theta energy: -152.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1635.794623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.794623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.794623 (E_RNA)
where:
Base-Base interactions energy: -1060.512
where: short stacking energy: -474.248
Base-Backbone interact. energy: 0.594
local terms energy: -575.876375
where:
bonds (distance) C4'-P energy: -124.767
bonds (distance) P-C4' energy: -122.829
flat angles C4'-P-C4' energy: -120.901
flat angles P-C4'-P energy: -85.241
tors. eta vs tors. theta energy: -122.139
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: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1629.129177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.129177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.129177 (E_RNA)
where:
Base-Base interactions energy: -1064.474
where: short stacking energy: -475.443
Base-Backbone interact. energy: -3.952
local terms energy: -560.703391
where:
bonds (distance) C4'-P energy: -94.464
bonds (distance) P-C4' energy: -116.952
flat angles C4'-P-C4' energy: -129.310
flat angles P-C4'-P energy: -91.542
tors. eta vs tors. theta energy: -128.436
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: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1216.952747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.952747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.952747 (E_RNA)
where:
Base-Base interactions energy: -725.523
where: short stacking energy: -354.269
Base-Backbone interact. energy: -2.624
local terms energy: -488.806451
where:
bonds (distance) C4'-P energy: -102.596
bonds (distance) P-C4' energy: -135.088
flat angles C4'-P-C4' energy: -113.063
flat angles P-C4'-P energy: -78.692
tors. eta vs tors. theta energy: -59.368
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: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1097.083476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.083476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.083476 (E_RNA)
where:
Base-Base interactions energy: -661.186
where: short stacking energy: -338.638
Base-Backbone interact. energy: 2.048
local terms energy: -437.945435
where:
bonds (distance) C4'-P energy: -99.580
bonds (distance) P-C4' energy: -108.051
flat angles C4'-P-C4' energy: -97.532
flat angles P-C4'-P energy: -68.538
tors. eta vs tors. theta energy: -64.244
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: 95
Temperature: 1.300000
Total energy: -964.685911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.685911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.685911 (E_RNA)
where:
Base-Base interactions energy: -544.688
where: short stacking energy: -269.356
Base-Backbone interact. energy: 12.122
local terms energy: -432.120244
where:
bonds (distance) C4'-P energy: -96.415
bonds (distance) P-C4' energy: -121.025
flat angles C4'-P-C4' energy: -113.266
flat angles P-C4'-P energy: -72.419
tors. eta vs tors. theta energy: -28.995
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: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -680.099306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.099306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.099306 (E_RNA)
where:
Base-Base interactions energy: -337.732
where: short stacking energy: -200.257
Base-Backbone interact. energy: 0.860
local terms energy: -343.227352
where:
bonds (distance) C4'-P energy: -98.322
bonds (distance) P-C4' energy: -116.737
flat angles C4'-P-C4' energy: -93.679
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: 7.079
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: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2234.743326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.743326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.743326 (E_RNA)
where:
Base-Base interactions energy: -1541.524
where: short stacking energy: -648.043
Base-Backbone interact. energy: -3.520
local terms energy: -689.699076
where:
bonds (distance) C4'-P energy: -130.348
bonds (distance) P-C4' energy: -136.534
flat angles C4'-P-C4' energy: -144.429
flat angles P-C4'-P energy: -99.235
tors. eta vs tors. theta energy: -179.154
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: 96
Temperature: 0.950000
Total energy: -2095.271338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.271338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.271338 (E_RNA)
where:
Base-Base interactions energy: -1422.485
where: short stacking energy: -656.221
Base-Backbone interact. energy: -2.110
local terms energy: -670.677019
where:
bonds (distance) C4'-P energy: -121.652
bonds (distance) P-C4' energy: -126.097
flat angles C4'-P-C4' energy: -150.498
flat angles P-C4'-P energy: -87.175
tors. eta vs tors. theta energy: -185.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2011.014093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.014093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.014093 (E_RNA)
where:
Base-Base interactions energy: -1381.906
where: short stacking energy: -618.540
Base-Backbone interact. energy: 1.143
local terms energy: -630.250738
where:
bonds (distance) C4'-P energy: -110.814
bonds (distance) P-C4' energy: -123.740
flat angles C4'-P-C4' energy: -139.668
flat angles P-C4'-P energy: -84.737
tors. eta vs tors. theta energy: -171.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1792.400980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.400980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.400980 (E_RNA)
where:
Base-Base interactions energy: -1180.048
where: short stacking energy: -533.596
Base-Backbone interact. energy: 0.614
local terms energy: -612.966885
where:
bonds (distance) C4'-P energy: -122.918
bonds (distance) P-C4' energy: -125.215
flat angles C4'-P-C4' energy: -122.298
flat angles P-C4'-P energy: -97.605
tors. eta vs tors. theta energy: -144.931
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: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1601.160467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.160467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.160467 (E_RNA)
where:
Base-Base interactions energy: -1045.115
where: short stacking energy: -486.735
Base-Backbone interact. energy: -1.745
local terms energy: -554.299841
where:
bonds (distance) C4'-P energy: -120.432
bonds (distance) P-C4' energy: -126.075
flat angles C4'-P-C4' energy: -112.033
flat angles P-C4'-P energy: -70.966
tors. eta vs tors. theta energy: -124.794
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: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1623.056086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.056086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.056086 (E_RNA)
where:
Base-Base interactions energy: -1068.757
where: short stacking energy: -487.110
Base-Backbone interact. energy: -3.176
local terms energy: -551.123485
where:
bonds (distance) C4'-P energy: -98.031
bonds (distance) P-C4' energy: -124.329
flat angles C4'-P-C4' energy: -129.659
flat angles P-C4'-P energy: -76.942
tors. eta vs tors. theta energy: -122.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1110.964750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.964750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.964750 (E_RNA)
where:
Base-Base interactions energy: -652.198
where: short stacking energy: -321.950
Base-Backbone interact. energy: 3.485
local terms energy: -462.251930
where:
bonds (distance) C4'-P energy: -107.376
bonds (distance) P-C4' energy: -116.452
flat angles C4'-P-C4' energy: -108.102
flat angles P-C4'-P energy: -75.133
tors. eta vs tors. theta energy: -55.189
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: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1134.271050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.271050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.271050 (E_RNA)
where:
Base-Base interactions energy: -714.416
where: short stacking energy: -325.924
Base-Backbone interact. energy: 0.471
local terms energy: -420.326638
where:
bonds (distance) C4'-P energy: -100.850
bonds (distance) P-C4' energy: -100.555
flat angles C4'-P-C4' energy: -100.554
flat angles P-C4'-P energy: -52.259
tors. eta vs tors. theta energy: -66.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -946.747815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.747815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.747815 (E_RNA)
where:
Base-Base interactions energy: -534.815
where: short stacking energy: -280.932
Base-Backbone interact. energy: 2.153
local terms energy: -414.085802
where:
bonds (distance) C4'-P energy: -118.927
bonds (distance) P-C4' energy: -109.383
flat angles C4'-P-C4' energy: -93.499
flat angles P-C4'-P energy: -58.526
tors. eta vs tors. theta energy: -33.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -686.917194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.917194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.917194 (E_RNA)
where:
Base-Base interactions energy: -306.029
where: short stacking energy: -180.971
Base-Backbone interact. energy: 2.942
local terms energy: -383.829888
where:
bonds (distance) C4'-P energy: -106.085
bonds (distance) P-C4' energy: -102.373
flat angles C4'-P-C4' energy: -109.072
flat angles P-C4'-P energy: -66.067
tors. eta vs tors. theta energy: -0.233
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: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2251.924538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.924538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.924538 (E_RNA)
where:
Base-Base interactions energy: -1556.965
where: short stacking energy: -640.192
Base-Backbone interact. energy: -2.549
local terms energy: -692.409793
where:
bonds (distance) C4'-P energy: -123.660
bonds (distance) P-C4' energy: -135.976
flat angles C4'-P-C4' energy: -153.588
flat angles P-C4'-P energy: -90.849
tors. eta vs tors. theta energy: -188.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2138.519835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.519835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.519835 (E_RNA)
where:
Base-Base interactions energy: -1429.765
where: short stacking energy: -624.063
Base-Backbone interact. energy: -3.078
local terms energy: -705.676751
where:
bonds (distance) C4'-P energy: -133.173
bonds (distance) P-C4' energy: -130.371
flat angles C4'-P-C4' energy: -154.038
flat angles P-C4'-P energy: -102.118
tors. eta vs tors. theta energy: -185.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2015.030749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.030749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.030749 (E_RNA)
where:
Base-Base interactions energy: -1363.632
where: short stacking energy: -617.102
Base-Backbone interact. energy: -3.486
local terms energy: -647.912728
where:
bonds (distance) C4'-P energy: -124.057
bonds (distance) P-C4' energy: -117.456
flat angles C4'-P-C4' energy: -147.319
flat angles P-C4'-P energy: -80.933
tors. eta vs tors. theta energy: -178.148
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: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1871.202187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.202187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.202187 (E_RNA)
where:
Base-Base interactions energy: -1224.502
where: short stacking energy: -577.088
Base-Backbone interact. energy: -1.920
local terms energy: -644.779684
where:
bonds (distance) C4'-P energy: -131.990
bonds (distance) P-C4' energy: -117.771
flat angles C4'-P-C4' energy: -144.768
flat angles P-C4'-P energy: -88.177
tors. eta vs tors. theta energy: -162.074
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: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1591.192233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.192233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.192233 (E_RNA)
where:
Base-Base interactions energy: -1012.589
where: short stacking energy: -474.312
Base-Backbone interact. energy: -1.478
local terms energy: -577.125571
where:
bonds (distance) C4'-P energy: -115.567
bonds (distance) P-C4' energy: -125.317
flat angles C4'-P-C4' energy: -135.837
flat angles P-C4'-P energy: -77.044
tors. eta vs tors. theta energy: -123.362
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: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1657.492598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.492598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.492598 (E_RNA)
where:
Base-Base interactions energy: -1111.971
where: short stacking energy: -480.993
Base-Backbone interact. energy: -1.404
local terms energy: -544.117422
where:
bonds (distance) C4'-P energy: -104.602
bonds (distance) P-C4' energy: -97.649
flat angles C4'-P-C4' energy: -132.359
flat angles P-C4'-P energy: -74.493
tors. eta vs tors. theta energy: -135.014
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: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1191.786253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.786253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.786253 (E_RNA)
where:
Base-Base interactions energy: -712.353
where: short stacking energy: -348.931
Base-Backbone interact. energy: -1.980
local terms energy: -477.453319
where:
bonds (distance) C4'-P energy: -117.710
bonds (distance) P-C4' energy: -106.804
flat angles C4'-P-C4' energy: -96.606
flat angles P-C4'-P energy: -89.594
tors. eta vs tors. theta energy: -66.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1169.452904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.452904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.452904 (E_RNA)
where:
Base-Base interactions energy: -687.653
where: short stacking energy: -329.976
Base-Backbone interact. energy: -3.908
local terms energy: -477.892386
where:
bonds (distance) C4'-P energy: -114.365
bonds (distance) P-C4' energy: -124.528
flat angles C4'-P-C4' energy: -109.156
flat angles P-C4'-P energy: -66.886
tors. eta vs tors. theta energy: -62.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1000.927180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.927180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.927180 (E_RNA)
where:
Base-Base interactions energy: -594.639
where: short stacking energy: -297.768
Base-Backbone interact. energy: -0.695
local terms energy: -405.592896
where:
bonds (distance) C4'-P energy: -120.684
bonds (distance) P-C4' energy: -110.919
flat angles C4'-P-C4' energy: -86.299
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: -37.762
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: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -703.243248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.243248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.243248 (E_RNA)
where:
Base-Base interactions energy: -378.792
where: short stacking energy: -194.780
Base-Backbone interact. energy: -4.289
local terms energy: -320.162612
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -95.096
flat angles C4'-P-C4' energy: -93.285
flat angles P-C4'-P energy: -39.913
tors. eta vs tors. theta energy: 2.040
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: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2259.230492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.230492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.230492 (E_RNA)
where:
Base-Base interactions energy: -1560.258
where: short stacking energy: -649.718
Base-Backbone interact. energy: -3.139
local terms energy: -695.833282
where:
bonds (distance) C4'-P energy: -131.593
bonds (distance) P-C4' energy: -126.957
flat angles C4'-P-C4' energy: -137.441
flat angles P-C4'-P energy: -117.862
tors. eta vs tors. theta energy: -181.981
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: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2130.595886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.595886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.595886 (E_RNA)
where:
Base-Base interactions energy: -1422.547
where: short stacking energy: -639.911
Base-Backbone interact. energy: 2.562
local terms energy: -710.610803
where:
bonds (distance) C4'-P energy: -130.656
bonds (distance) P-C4' energy: -120.301
flat angles C4'-P-C4' energy: -160.647
flat angles P-C4'-P energy: -101.685
tors. eta vs tors. theta energy: -197.322
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: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2001.546880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.546880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.546880 (E_RNA)
where:
Base-Base interactions energy: -1363.809
where: short stacking energy: -630.369
Base-Backbone interact. energy: -1.225
local terms energy: -636.512084
where:
bonds (distance) C4'-P energy: -109.902
bonds (distance) P-C4' energy: -114.249
flat angles C4'-P-C4' energy: -142.832
flat angles P-C4'-P energy: -88.273
tors. eta vs tors. theta energy: -181.256
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: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1820.893877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.893877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.893877 (E_RNA)
where:
Base-Base interactions energy: -1179.900
where: short stacking energy: -517.289
Base-Backbone interact. energy: 1.546
local terms energy: -642.539182
where:
bonds (distance) C4'-P energy: -135.507
bonds (distance) P-C4' energy: -125.328
flat angles C4'-P-C4' energy: -136.472
flat angles P-C4'-P energy: -93.458
tors. eta vs tors. theta energy: -151.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1701.731136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.731136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.731136 (E_RNA)
where:
Base-Base interactions energy: -1121.183
where: short stacking energy: -483.921
Base-Backbone interact. energy: -1.895
local terms energy: -578.653385
where:
bonds (distance) C4'-P energy: -106.115
bonds (distance) P-C4' energy: -128.648
flat angles C4'-P-C4' energy: -133.063
flat angles P-C4'-P energy: -74.915
tors. eta vs tors. theta energy: -135.913
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: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1498.292070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.292070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.292070 (E_RNA)
where:
Base-Base interactions energy: -937.602
where: short stacking energy: -430.762
Base-Backbone interact. energy: 4.105
local terms energy: -564.795578
where:
bonds (distance) C4'-P energy: -123.842
bonds (distance) P-C4' energy: -131.516
flat angles C4'-P-C4' energy: -114.710
flat angles P-C4'-P energy: -84.727
tors. eta vs tors. theta energy: -110.000
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: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1194.843917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.843917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.843917 (E_RNA)
where:
Base-Base interactions energy: -705.935
where: short stacking energy: -343.255
Base-Backbone interact. energy: -2.243
local terms energy: -486.665282
where:
bonds (distance) C4'-P energy: -112.249
bonds (distance) P-C4' energy: -125.786
flat angles C4'-P-C4' energy: -103.798
flat angles P-C4'-P energy: -72.091
tors. eta vs tors. theta energy: -72.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1151.395826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.395826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.395826 (E_RNA)
where:
Base-Base interactions energy: -678.585
where: short stacking energy: -339.246
Base-Backbone interact. energy: -1.788
local terms energy: -471.022799
where:
bonds (distance) C4'-P energy: -107.917
bonds (distance) P-C4' energy: -113.099
flat angles C4'-P-C4' energy: -118.606
flat angles P-C4'-P energy: -77.470
tors. eta vs tors. theta energy: -53.930
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: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -972.451675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.451675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.451675 (E_RNA)
where:
Base-Base interactions energy: -576.744
where: short stacking energy: -276.127
Base-Backbone interact. energy: -1.464
local terms energy: -394.243547
where:
bonds (distance) C4'-P energy: -87.467
bonds (distance) P-C4' energy: -118.484
flat angles C4'-P-C4' energy: -96.209
flat angles P-C4'-P energy: -64.185
tors. eta vs tors. theta energy: -27.899
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: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -708.705105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.705105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.705105 (E_RNA)
where:
Base-Base interactions energy: -374.414
where: short stacking energy: -216.744
Base-Backbone interact. energy: -0.729
local terms energy: -333.562214
where:
bonds (distance) C4'-P energy: -85.423
bonds (distance) P-C4' energy: -102.016
flat angles C4'-P-C4' energy: -93.755
flat angles P-C4'-P energy: -45.791
tors. eta vs tors. theta energy: -6.577
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: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2260.554216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.554216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.554216 (E_RNA)
where:
Base-Base interactions energy: -1574.645
where: short stacking energy: -638.325
Base-Backbone interact. energy: -0.663
local terms energy: -685.246667
where:
bonds (distance) C4'-P energy: -117.355
bonds (distance) P-C4' energy: -142.833
flat angles C4'-P-C4' energy: -157.853
flat angles P-C4'-P energy: -93.586
tors. eta vs tors. theta energy: -173.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2127.840862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.840862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.840862 (E_RNA)
where:
Base-Base interactions energy: -1440.737
where: short stacking energy: -639.073
Base-Backbone interact. energy: -0.542
local terms energy: -686.562392
where:
bonds (distance) C4'-P energy: -124.255
bonds (distance) P-C4' energy: -136.133
flat angles C4'-P-C4' energy: -146.017
flat angles P-C4'-P energy: -94.380
tors. eta vs tors. theta energy: -185.777
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1990.329091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.329091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.329091 (E_RNA)
where:
Base-Base interactions energy: -1317.647
where: short stacking energy: -591.622
Base-Backbone interact. energy: 2.643
local terms energy: -675.325460
where:
bonds (distance) C4'-P energy: -128.082
bonds (distance) P-C4' energy: -121.810
flat angles C4'-P-C4' energy: -148.675
flat angles P-C4'-P energy: -105.146
tors. eta vs tors. theta energy: -171.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1829.158985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.158985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.158985 (E_RNA)
where:
Base-Base interactions energy: -1184.064
where: short stacking energy: -542.629
Base-Backbone interact. energy: -2.972
local terms energy: -642.122379
where:
bonds (distance) C4'-P energy: -120.286
bonds (distance) P-C4' energy: -127.926
flat angles C4'-P-C4' energy: -149.247
flat angles P-C4'-P energy: -97.171
tors. eta vs tors. theta energy: -147.493
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: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1621.680100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.680100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.680100 (E_RNA)
where:
Base-Base interactions energy: -1076.561
where: short stacking energy: -483.565
Base-Backbone interact. energy: -1.815
local terms energy: -543.304103
where:
bonds (distance) C4'-P energy: -113.948
bonds (distance) P-C4' energy: -126.019
flat angles C4'-P-C4' energy: -124.106
flat angles P-C4'-P energy: -63.592
tors. eta vs tors. theta energy: -115.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1426.857263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.857263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.857263 (E_RNA)
where:
Base-Base interactions energy: -909.708
where: short stacking energy: -383.257
Base-Backbone interact. energy: -3.162
local terms energy: -513.987453
where:
bonds (distance) C4'-P energy: -120.428
bonds (distance) P-C4' energy: -111.986
flat angles C4'-P-C4' energy: -126.552
flat angles P-C4'-P energy: -76.747
tors. eta vs tors. theta energy: -78.275
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: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1158.807160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.807160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.807160 (E_RNA)
where:
Base-Base interactions energy: -682.080
where: short stacking energy: -338.856
Base-Backbone interact. energy: -2.079
local terms energy: -474.647963
where:
bonds (distance) C4'-P energy: -104.497
bonds (distance) P-C4' energy: -113.136
flat angles C4'-P-C4' energy: -120.499
flat angles P-C4'-P energy: -67.233
tors. eta vs tors. theta energy: -69.283
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: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1029.802441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.802441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.802441 (E_RNA)
where:
Base-Base interactions energy: -596.459
where: short stacking energy: -290.510
Base-Backbone interact. energy: -2.338
local terms energy: -431.005006
where:
bonds (distance) C4'-P energy: -107.297
bonds (distance) P-C4' energy: -117.298
flat angles C4'-P-C4' energy: -92.179
flat angles P-C4'-P energy: -71.230
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: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1123.027066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.027066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.027066 (E_RNA)
where:
Base-Base interactions energy: -698.919
where: short stacking energy: -331.723
Base-Backbone interact. energy: -3.271
local terms energy: -420.837521
where:
bonds (distance) C4'-P energy: -99.743
bonds (distance) P-C4' energy: -96.523
flat angles C4'-P-C4' energy: -97.324
flat angles P-C4'-P energy: -69.571
tors. eta vs tors. theta energy: -57.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -762.653650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.653650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.653650 (E_RNA)
where:
Base-Base interactions energy: -384.916
where: short stacking energy: -201.002
Base-Backbone interact. energy: 0.716
local terms energy: -378.453407
where:
bonds (distance) C4'-P energy: -100.660
bonds (distance) P-C4' energy: -126.117
flat angles C4'-P-C4' energy: -85.263
flat angles P-C4'-P energy: -57.431
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2248.137253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.137253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.137253 (E_RNA)
where:
Base-Base interactions energy: -1566.203
where: short stacking energy: -649.705
Base-Backbone interact. energy: -5.178
local terms energy: -676.756081
where:
bonds (distance) C4'-P energy: -124.053
bonds (distance) P-C4' energy: -132.325
flat angles C4'-P-C4' energy: -138.888
flat angles P-C4'-P energy: -101.777
tors. eta vs tors. theta energy: -179.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2144.765428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.765428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.765428 (E_RNA)
where:
Base-Base interactions energy: -1449.924
where: short stacking energy: -641.793
Base-Backbone interact. energy: -1.735
local terms energy: -693.105654
where:
bonds (distance) C4'-P energy: -131.867
bonds (distance) P-C4' energy: -122.839
flat angles C4'-P-C4' energy: -146.244
flat angles P-C4'-P energy: -99.086
tors. eta vs tors. theta energy: -193.068
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: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1942.385529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.385529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.385529 (E_RNA)
where:
Base-Base interactions energy: -1300.746
where: short stacking energy: -574.340
Base-Backbone interact. energy: -3.258
local terms energy: -638.382182
where:
bonds (distance) C4'-P energy: -130.025
bonds (distance) P-C4' energy: -110.935
flat angles C4'-P-C4' energy: -140.015
flat angles P-C4'-P energy: -86.451
tors. eta vs tors. theta energy: -170.957
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: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1826.218746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.218746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.218746 (E_RNA)
where:
Base-Base interactions energy: -1207.221
where: short stacking energy: -547.988
Base-Backbone interact. energy: 1.515
local terms energy: -620.512418
where:
bonds (distance) C4'-P energy: -127.833
bonds (distance) P-C4' energy: -112.757
flat angles C4'-P-C4' energy: -128.643
flat angles P-C4'-P energy: -85.749
tors. eta vs tors. theta energy: -165.531
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: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1665.728254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.728254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.728254 (E_RNA)
where:
Base-Base interactions energy: -1084.421
where: short stacking energy: -490.158
Base-Backbone interact. energy: -2.498
local terms energy: -578.809159
where:
bonds (distance) C4'-P energy: -105.944
bonds (distance) P-C4' energy: -117.514
flat angles C4'-P-C4' energy: -138.396
flat angles P-C4'-P energy: -91.309
tors. eta vs tors. theta energy: -125.647
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: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1419.590913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.590913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.590913 (E_RNA)
where:
Base-Base interactions energy: -911.139
where: short stacking energy: -403.044
Base-Backbone interact. energy: -1.155
local terms energy: -507.296582
where:
bonds (distance) C4'-P energy: -110.615
bonds (distance) P-C4' energy: -115.375
flat angles C4'-P-C4' energy: -131.271
flat angles P-C4'-P energy: -69.408
tors. eta vs tors. theta energy: -80.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1187.658132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.658132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.658132 (E_RNA)
where:
Base-Base interactions energy: -705.817
where: short stacking energy: -360.452
Base-Backbone interact. energy: -3.379
local terms energy: -478.461788
where:
bonds (distance) C4'-P energy: -114.454
bonds (distance) P-C4' energy: -127.703
flat angles C4'-P-C4' energy: -113.781
flat angles P-C4'-P energy: -59.944
tors. eta vs tors. theta energy: -62.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1033.071868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.071868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.071868 (E_RNA)
where:
Base-Base interactions energy: -565.847
where: short stacking energy: -297.399
Base-Backbone interact. energy: 3.539
local terms energy: -470.763297
where:
bonds (distance) C4'-P energy: -111.764
bonds (distance) P-C4' energy: -111.452
flat angles C4'-P-C4' energy: -112.129
flat angles P-C4'-P energy: -71.907
tors. eta vs tors. theta energy: -63.512
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: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1047.240479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.240479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.240479 (E_RNA)
where:
Base-Base interactions energy: -605.184
where: short stacking energy: -291.821
Base-Backbone interact. energy: 2.037
local terms energy: -444.093035
where:
bonds (distance) C4'-P energy: -122.110
bonds (distance) P-C4' energy: -123.949
flat angles C4'-P-C4' energy: -112.250
flat angles P-C4'-P energy: -59.423
tors. eta vs tors. theta energy: -26.360
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: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -737.981571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.981571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.981571 (E_RNA)
where:
Base-Base interactions energy: -400.516
where: short stacking energy: -216.262
Base-Backbone interact. energy: 10.120
local terms energy: -347.585405
where:
bonds (distance) C4'-P energy: -109.057
bonds (distance) P-C4' energy: -100.240
flat angles C4'-P-C4' energy: -87.855
flat angles P-C4'-P energy: -44.915
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2220.036809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.036809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.036809 (E_RNA)
where:
Base-Base interactions energy: -1531.287
where: short stacking energy: -649.849
Base-Backbone interact. energy: -5.631
local terms energy: -683.118543
where:
bonds (distance) C4'-P energy: -127.395
bonds (distance) P-C4' energy: -138.049
flat angles C4'-P-C4' energy: -149.063
flat angles P-C4'-P energy: -83.655
tors. eta vs tors. theta energy: -184.958
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: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2146.435190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.435190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.435190 (E_RNA)
where:
Base-Base interactions energy: -1437.532
where: short stacking energy: -632.007
Base-Backbone interact. energy: -0.410
local terms energy: -708.492810
where:
bonds (distance) C4'-P energy: -133.339
bonds (distance) P-C4' energy: -131.342
flat angles C4'-P-C4' energy: -159.767
flat angles P-C4'-P energy: -95.675
tors. eta vs tors. theta energy: -188.370
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: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2066.522501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.522501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.522501 (E_RNA)
where:
Base-Base interactions energy: -1411.078
where: short stacking energy: -577.079
Base-Backbone interact. energy: -2.200
local terms energy: -653.244366
where:
bonds (distance) C4'-P energy: -121.143
bonds (distance) P-C4' energy: -137.395
flat angles C4'-P-C4' energy: -132.085
flat angles P-C4'-P energy: -87.326
tors. eta vs tors. theta energy: -175.295
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: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1791.354410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.354410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.354410 (E_RNA)
where:
Base-Base interactions energy: -1162.491
where: short stacking energy: -519.920
Base-Backbone interact. energy: -2.635
local terms energy: -626.228096
where:
bonds (distance) C4'-P energy: -128.763
bonds (distance) P-C4' energy: -144.359
flat angles C4'-P-C4' energy: -134.360
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -147.543
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: 5, replica: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1708.493098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.493098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.493098 (E_RNA)
where:
Base-Base interactions energy: -1124.735
where: short stacking energy: -474.961
Base-Backbone interact. energy: -0.978
local terms energy: -582.779864
where:
bonds (distance) C4'-P energy: -120.463
bonds (distance) P-C4' energy: -119.815
flat angles C4'-P-C4' energy: -133.964
flat angles P-C4'-P energy: -72.758
tors. eta vs tors. theta energy: -135.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1423.940611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.940611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.940611 (E_RNA)
where:
Base-Base interactions energy: -916.414
where: short stacking energy: -412.571
Base-Backbone interact. energy: -0.834
local terms energy: -506.692684
where:
bonds (distance) C4'-P energy: -114.953
bonds (distance) P-C4' energy: -107.921
flat angles C4'-P-C4' energy: -105.832
flat angles P-C4'-P energy: -70.018
tors. eta vs tors. theta energy: -107.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1207.776351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.776351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.776351 (E_RNA)
where:
Base-Base interactions energy: -739.653
where: short stacking energy: -353.169
Base-Backbone interact. energy: 0.106
local terms energy: -468.229665
where:
bonds (distance) C4'-P energy: -96.885
bonds (distance) P-C4' energy: -120.353
flat angles C4'-P-C4' energy: -101.388
flat angles P-C4'-P energy: -82.041
tors. eta vs tors. theta energy: -67.563
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: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1042.171034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.171034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.171034 (E_RNA)
where:
Base-Base interactions energy: -629.741
where: short stacking energy: -334.355
Base-Backbone interact. energy: -4.099
local terms energy: -408.331176
where:
bonds (distance) C4'-P energy: -100.397
bonds (distance) P-C4' energy: -109.215
flat angles C4'-P-C4' energy: -96.044
flat angles P-C4'-P energy: -52.900
tors. eta vs tors. theta energy: -49.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -961.891901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.891901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.891901 (E_RNA)
where:
Base-Base interactions energy: -556.440
where: short stacking energy: -280.778
Base-Backbone interact. energy: -0.506
local terms energy: -404.946189
where:
bonds (distance) C4'-P energy: -120.257
bonds (distance) P-C4' energy: -112.626
flat angles C4'-P-C4' energy: -85.509
flat angles P-C4'-P energy: -59.864
tors. eta vs tors. theta energy: -26.690
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: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -709.853109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.853109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.853109 (E_RNA)
where:
Base-Base interactions energy: -362.684
where: short stacking energy: -194.764
Base-Backbone interact. energy: -1.064
local terms energy: -346.104601
where:
bonds (distance) C4'-P energy: -91.575
bonds (distance) P-C4' energy: -106.626
flat angles C4'-P-C4' energy: -101.091
flat angles P-C4'-P energy: -47.480
tors. eta vs tors. theta energy: 0.667
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: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2210.400438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.400438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.400438 (E_RNA)
where:
Base-Base interactions energy: -1507.207
where: short stacking energy: -656.809
Base-Backbone interact. energy: -3.166
local terms energy: -700.027451
where:
bonds (distance) C4'-P energy: -128.642
bonds (distance) P-C4' energy: -137.031
flat angles C4'-P-C4' energy: -143.850
flat angles P-C4'-P energy: -99.689
tors. eta vs tors. theta energy: -190.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2156.237846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.237846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.237846 (E_RNA)
where:
Base-Base interactions energy: -1442.062
where: short stacking energy: -677.897
Base-Backbone interact. energy: -1.629
local terms energy: -712.547016
where:
bonds (distance) C4'-P energy: -138.741
bonds (distance) P-C4' energy: -131.310
flat angles C4'-P-C4' energy: -154.594
flat angles P-C4'-P energy: -89.638
tors. eta vs tors. theta energy: -198.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2022.400721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.400721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.400721 (E_RNA)
where:
Base-Base interactions energy: -1381.734
where: short stacking energy: -582.994
Base-Backbone interact. energy: -1.600
local terms energy: -639.067366
where:
bonds (distance) C4'-P energy: -105.560
bonds (distance) P-C4' energy: -131.542
flat angles C4'-P-C4' energy: -135.123
flat angles P-C4'-P energy: -93.810
tors. eta vs tors. theta energy: -173.033
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: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1793.233245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.233245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.233245 (E_RNA)
where:
Base-Base interactions energy: -1208.846
where: short stacking energy: -524.003
Base-Backbone interact. energy: -1.100
local terms energy: -583.287810
where:
bonds (distance) C4'-P energy: -125.555
bonds (distance) P-C4' energy: -103.724
flat angles C4'-P-C4' energy: -134.775
flat angles P-C4'-P energy: -71.874
tors. eta vs tors. theta energy: -147.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1697.438077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.438077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.438077 (E_RNA)
where:
Base-Base interactions energy: -1131.878
where: short stacking energy: -499.275
Base-Backbone interact. energy: 0.568
local terms energy: -566.127561
where:
bonds (distance) C4'-P energy: -91.751
bonds (distance) P-C4' energy: -124.019
flat angles C4'-P-C4' energy: -138.829
flat angles P-C4'-P energy: -68.312
tors. eta vs tors. theta energy: -143.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1490.480681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.480681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.480681 (E_RNA)
where:
Base-Base interactions energy: -955.351
where: short stacking energy: -419.465
Base-Backbone interact. energy: -1.676
local terms energy: -533.454545
where:
bonds (distance) C4'-P energy: -110.534
bonds (distance) P-C4' energy: -118.136
flat angles C4'-P-C4' energy: -119.041
flat angles P-C4'-P energy: -76.912
tors. eta vs tors. theta energy: -108.831
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: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1256.979775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.979775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.979775 (E_RNA)
where:
Base-Base interactions energy: -759.065
where: short stacking energy: -382.247
Base-Backbone interact. energy: 1.954
local terms energy: -499.869390
where:
bonds (distance) C4'-P energy: -105.528
bonds (distance) P-C4' energy: -115.544
flat angles C4'-P-C4' energy: -119.861
flat angles P-C4'-P energy: -72.590
tors. eta vs tors. theta energy: -86.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1009.106666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.106666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.106666 (E_RNA)
where:
Base-Base interactions energy: -584.311
where: short stacking energy: -270.800
Base-Backbone interact. energy: 2.176
local terms energy: -426.971818
where:
bonds (distance) C4'-P energy: -128.883
bonds (distance) P-C4' energy: -119.981
flat angles C4'-P-C4' energy: -73.556
flat angles P-C4'-P energy: -63.380
tors. eta vs tors. theta energy: -41.172
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: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -949.947367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.947367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.947367 (E_RNA)
where:
Base-Base interactions energy: -527.643
where: short stacking energy: -255.804
Base-Backbone interact. energy: -1.102
local terms energy: -421.202260
where:
bonds (distance) C4'-P energy: -99.758
bonds (distance) P-C4' energy: -116.195
flat angles C4'-P-C4' energy: -119.800
flat angles P-C4'-P energy: -67.572
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -736.304570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.304570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.304570 (E_RNA)
where:
Base-Base interactions energy: -362.943
where: short stacking energy: -214.139
Base-Backbone interact. energy: -1.175
local terms energy: -372.185743
where:
bonds (distance) C4'-P energy: -92.251
bonds (distance) P-C4' energy: -101.802
flat angles C4'-P-C4' energy: -99.734
flat angles P-C4'-P energy: -62.054
tors. eta vs tors. theta energy: -16.344
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: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2224.976999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.976999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.976999 (E_RNA)
where:
Base-Base interactions energy: -1523.033
where: short stacking energy: -647.613
Base-Backbone interact. energy: -2.073
local terms energy: -699.871427
where:
bonds (distance) C4'-P energy: -124.365
bonds (distance) P-C4' energy: -139.994
flat angles C4'-P-C4' energy: -149.779
flat angles P-C4'-P energy: -108.412
tors. eta vs tors. theta energy: -177.322
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: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2121.980268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.980268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.980268 (E_RNA)
where:
Base-Base interactions energy: -1418.998
where: short stacking energy: -634.411
Base-Backbone interact. energy: -3.218
local terms energy: -699.764563
where:
bonds (distance) C4'-P energy: -114.186
bonds (distance) P-C4' energy: -149.403
flat angles C4'-P-C4' energy: -149.035
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -190.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2036.865380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.865380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.865380 (E_RNA)
where:
Base-Base interactions energy: -1387.997
where: short stacking energy: -583.616
Base-Backbone interact. energy: -4.000
local terms energy: -644.868430
where:
bonds (distance) C4'-P energy: -110.714
bonds (distance) P-C4' energy: -125.526
flat angles C4'-P-C4' energy: -141.219
flat angles P-C4'-P energy: -94.240
tors. eta vs tors. theta energy: -173.169
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: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1786.383772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.383772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.383772 (E_RNA)
where:
Base-Base interactions energy: -1186.344
where: short stacking energy: -528.297
Base-Backbone interact. energy: -1.396
local terms energy: -598.643748
where:
bonds (distance) C4'-P energy: -111.345
bonds (distance) P-C4' energy: -126.729
flat angles C4'-P-C4' energy: -139.686
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -140.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1685.379649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.379649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.379649 (E_RNA)
where:
Base-Base interactions energy: -1092.944
where: short stacking energy: -485.264
Base-Backbone interact. energy: -2.442
local terms energy: -589.993538
where:
bonds (distance) C4'-P energy: -106.919
bonds (distance) P-C4' energy: -129.246
flat angles C4'-P-C4' energy: -134.383
flat angles P-C4'-P energy: -92.013
tors. eta vs tors. theta energy: -127.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1477.534526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.534526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.534526 (E_RNA)
where:
Base-Base interactions energy: -937.196
where: short stacking energy: -434.568
Base-Backbone interact. energy: -2.338
local terms energy: -538.000932
where:
bonds (distance) C4'-P energy: -115.681
bonds (distance) P-C4' energy: -114.091
flat angles C4'-P-C4' energy: -128.604
flat angles P-C4'-P energy: -77.170
tors. eta vs tors. theta energy: -102.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1234.181918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.181918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.181918 (E_RNA)
where:
Base-Base interactions energy: -766.408
where: short stacking energy: -376.947
Base-Backbone interact. energy: 3.449
local terms energy: -471.223217
where:
bonds (distance) C4'-P energy: -106.701
bonds (distance) P-C4' energy: -106.187
flat angles C4'-P-C4' energy: -110.372
flat angles P-C4'-P energy: -72.671
tors. eta vs tors. theta energy: -75.293
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: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1045.538593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.538593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.538593 (E_RNA)
where:
Base-Base interactions energy: -607.206
where: short stacking energy: -309.613
Base-Backbone interact. energy: 0.786
local terms energy: -439.118568
where:
bonds (distance) C4'-P energy: -107.206
bonds (distance) P-C4' energy: -117.164
flat angles C4'-P-C4' energy: -103.371
flat angles P-C4'-P energy: -67.838
tors. eta vs tors. theta energy: -43.540
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: 103
Temperature: 1.300000
Total energy: -1037.191344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.191344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.191344 (E_RNA)
where:
Base-Base interactions energy: -617.263
where: short stacking energy: -301.097
Base-Backbone interact. energy: -1.576
local terms energy: -418.351797
where:
bonds (distance) C4'-P energy: -104.094
bonds (distance) P-C4' energy: -117.328
flat angles C4'-P-C4' energy: -85.954
flat angles P-C4'-P energy: -64.399
tors. eta vs tors. theta energy: -46.576
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: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -705.224262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.224262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.224262 (E_RNA)
where:
Base-Base interactions energy: -328.278
where: short stacking energy: -205.082
Base-Backbone interact. energy: 4.820
local terms energy: -381.766372
where:
bonds (distance) C4'-P energy: -119.970
bonds (distance) P-C4' energy: -99.892
flat angles C4'-P-C4' energy: -89.889
flat angles P-C4'-P energy: -60.039
tors. eta vs tors. theta energy: -11.977
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: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2213.466538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.466538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.466538 (E_RNA)
where:
Base-Base interactions energy: -1516.912
where: short stacking energy: -637.630
Base-Backbone interact. energy: -2.576
local terms energy: -693.978736
where:
bonds (distance) C4'-P energy: -140.357
bonds (distance) P-C4' energy: -137.101
flat angles C4'-P-C4' energy: -146.750
flat angles P-C4'-P energy: -98.581
tors. eta vs tors. theta energy: -171.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2142.560385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.560385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.560385 (E_RNA)
where:
Base-Base interactions energy: -1444.880
where: short stacking energy: -656.385
Base-Backbone interact. energy: -2.719
local terms energy: -694.960820
where:
bonds (distance) C4'-P energy: -132.230
bonds (distance) P-C4' energy: -131.798
flat angles C4'-P-C4' energy: -147.045
flat angles P-C4'-P energy: -100.225
tors. eta vs tors. theta energy: -183.663
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: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2058.662569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.662569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.662569 (E_RNA)
where:
Base-Base interactions energy: -1390.408
where: short stacking energy: -585.832
Base-Backbone interact. energy: -2.322
local terms energy: -665.932215
where:
bonds (distance) C4'-P energy: -130.525
bonds (distance) P-C4' energy: -120.902
flat angles C4'-P-C4' energy: -144.523
flat angles P-C4'-P energy: -92.347
tors. eta vs tors. theta energy: -177.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1829.027255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.027255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.027255 (E_RNA)
where:
Base-Base interactions energy: -1219.518
where: short stacking energy: -531.616
Base-Backbone interact. energy: -1.090
local terms energy: -608.418526
where:
bonds (distance) C4'-P energy: -128.587
bonds (distance) P-C4' energy: -111.744
flat angles C4'-P-C4' energy: -134.059
flat angles P-C4'-P energy: -87.996
tors. eta vs tors. theta energy: -146.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1609.579290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.579290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.579290 (E_RNA)
where:
Base-Base interactions energy: -1021.297
where: short stacking energy: -452.735
Base-Backbone interact. energy: -0.784
local terms energy: -587.498541
where:
bonds (distance) C4'-P energy: -119.602
bonds (distance) P-C4' energy: -152.482
flat angles C4'-P-C4' energy: -126.396
flat angles P-C4'-P energy: -86.699
tors. eta vs tors. theta energy: -102.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1424.010818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.010818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.010818 (E_RNA)
where:
Base-Base interactions energy: -898.806
where: short stacking energy: -422.386
Base-Backbone interact. energy: 0.908
local terms energy: -526.112352
where:
bonds (distance) C4'-P energy: -128.370
bonds (distance) P-C4' energy: -122.753
flat angles C4'-P-C4' energy: -112.718
flat angles P-C4'-P energy: -59.383
tors. eta vs tors. theta energy: -102.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1248.888108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.888108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.888108 (E_RNA)
where:
Base-Base interactions energy: -764.394
where: short stacking energy: -389.398
Base-Backbone interact. energy: 0.112
local terms energy: -484.605728
where:
bonds (distance) C4'-P energy: -115.937
bonds (distance) P-C4' energy: -105.697
flat angles C4'-P-C4' energy: -107.796
flat angles P-C4'-P energy: -72.094
tors. eta vs tors. theta energy: -83.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1035.723633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.723633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.723633 (E_RNA)
where:
Base-Base interactions energy: -615.452
where: short stacking energy: -303.696
Base-Backbone interact. energy: 0.454
local terms energy: -420.725287
where:
bonds (distance) C4'-P energy: -102.099
bonds (distance) P-C4' energy: -121.905
flat angles C4'-P-C4' energy: -85.048
flat angles P-C4'-P energy: -64.906
tors. eta vs tors. theta energy: -46.766
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: 104
Temperature: 1.300000
Total energy: -1091.464178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.464178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.464178 (E_RNA)
where:
Base-Base interactions energy: -679.258
where: short stacking energy: -311.549
Base-Backbone interact. energy: 2.380
local terms energy: -414.585589
where:
bonds (distance) C4'-P energy: -98.850
bonds (distance) P-C4' energy: -110.779
flat angles C4'-P-C4' energy: -100.952
flat angles P-C4'-P energy: -68.789
tors. eta vs tors. theta energy: -35.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -728.360674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.360674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.360674 (E_RNA)
where:
Base-Base interactions energy: -360.007
where: short stacking energy: -213.010
Base-Backbone interact. energy: -0.232
local terms energy: -368.121814
where:
bonds (distance) C4'-P energy: -101.614
bonds (distance) P-C4' energy: -107.256
flat angles C4'-P-C4' energy: -83.714
flat angles P-C4'-P energy: -63.950
tors. eta vs tors. theta energy: -11.588
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: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2229.098174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.098174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.098174 (E_RNA)
where:
Base-Base interactions energy: -1542.507
where: short stacking energy: -655.661
Base-Backbone interact. energy: -4.439
local terms energy: -682.152506
where:
bonds (distance) C4'-P energy: -130.778
bonds (distance) P-C4' energy: -125.742
flat angles C4'-P-C4' energy: -140.227
flat angles P-C4'-P energy: -108.501
tors. eta vs tors. theta energy: -176.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2147.385008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.385008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.385008 (E_RNA)
where:
Base-Base interactions energy: -1438.943
where: short stacking energy: -649.110
Base-Backbone interact. energy: -1.036
local terms energy: -707.405538
where:
bonds (distance) C4'-P energy: -142.392
bonds (distance) P-C4' energy: -136.833
flat angles C4'-P-C4' energy: -148.290
flat angles P-C4'-P energy: -94.296
tors. eta vs tors. theta energy: -185.595
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: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2012.885044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.885044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.885044 (E_RNA)
where:
Base-Base interactions energy: -1351.616
where: short stacking energy: -630.237
Base-Backbone interact. energy: -0.800
local terms energy: -660.469524
where:
bonds (distance) C4'-P energy: -116.190
bonds (distance) P-C4' energy: -118.167
flat angles C4'-P-C4' energy: -152.170
flat angles P-C4'-P energy: -95.700
tors. eta vs tors. theta energy: -178.243
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: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1817.936411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.936411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.936411 (E_RNA)
where:
Base-Base interactions energy: -1230.235
where: short stacking energy: -537.908
Base-Backbone interact. energy: -3.334
local terms energy: -584.366755
where:
bonds (distance) C4'-P energy: -116.070
bonds (distance) P-C4' energy: -129.867
flat angles C4'-P-C4' energy: -129.052
flat angles P-C4'-P energy: -55.601
tors. eta vs tors. theta energy: -153.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1653.126854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.126854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.126854 (E_RNA)
where:
Base-Base interactions energy: -1082.691
where: short stacking energy: -503.805
Base-Backbone interact. energy: 1.612
local terms energy: -572.047635
where:
bonds (distance) C4'-P energy: -120.251
bonds (distance) P-C4' energy: -114.702
flat angles C4'-P-C4' energy: -140.911
flat angles P-C4'-P energy: -68.263
tors. eta vs tors. theta energy: -127.920
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: 105
Temperature: 1.150000
Total energy: -1407.350193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.350193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.350193 (E_RNA)
where:
Base-Base interactions energy: -867.285
where: short stacking energy: -420.260
Base-Backbone interact. energy: 3.427
local terms energy: -543.492193
where:
bonds (distance) C4'-P energy: -114.350
bonds (distance) P-C4' energy: -121.708
flat angles C4'-P-C4' energy: -122.347
flat angles P-C4'-P energy: -80.555
tors. eta vs tors. theta energy: -104.532
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: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1301.825729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.825729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.825729 (E_RNA)
where:
Base-Base interactions energy: -820.653
where: short stacking energy: -408.352
Base-Backbone interact. energy: -0.778
local terms energy: -480.394474
where:
bonds (distance) C4'-P energy: -98.953
bonds (distance) P-C4' energy: -119.861
flat angles C4'-P-C4' energy: -99.939
flat angles P-C4'-P energy: -70.396
tors. eta vs tors. theta energy: -91.245
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: 105
Temperature: 1.250000
Total energy: -1150.719182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.719182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.719182 (E_RNA)
where:
Base-Base interactions energy: -717.800
where: short stacking energy: -341.175
Base-Backbone interact. energy: -1.532
local terms energy: -431.387564
where:
bonds (distance) C4'-P energy: -110.388
bonds (distance) P-C4' energy: -110.878
flat angles C4'-P-C4' energy: -112.808
flat angles P-C4'-P energy: -54.094
tors. eta vs tors. theta energy: -43.220
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: 105
Temperature: 1.300000
Total energy: -972.727514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.727514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.727514 (E_RNA)
where:
Base-Base interactions energy: -568.907
where: short stacking energy: -291.614
Base-Backbone interact. energy: 1.748
local terms energy: -405.568744
where:
bonds (distance) C4'-P energy: -111.170
bonds (distance) P-C4' energy: -109.884
flat angles C4'-P-C4' energy: -105.145
flat angles P-C4'-P energy: -60.679
tors. eta vs tors. theta energy: -18.691
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: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -754.517929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.517929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.517929 (E_RNA)
where:
Base-Base interactions energy: -365.159
where: short stacking energy: -208.847
Base-Backbone interact. energy: 2.134
local terms energy: -391.493223
where:
bonds (distance) C4'-P energy: -110.676
bonds (distance) P-C4' energy: -114.897
flat angles C4'-P-C4' energy: -100.349
flat angles P-C4'-P energy: -59.472
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2222.582132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.582132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.582132 (E_RNA)
where:
Base-Base interactions energy: -1552.826
where: short stacking energy: -633.305
Base-Backbone interact. energy: -1.094
local terms energy: -668.662336
where:
bonds (distance) C4'-P energy: -118.183
bonds (distance) P-C4' energy: -136.278
flat angles C4'-P-C4' energy: -146.610
flat angles P-C4'-P energy: -97.659
tors. eta vs tors. theta energy: -169.932
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: 2, replica: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2163.373742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.373742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.373742 (E_RNA)
where:
Base-Base interactions energy: -1481.272
where: short stacking energy: -676.936
Base-Backbone interact. energy: -2.188
local terms energy: -679.913912
where:
bonds (distance) C4'-P energy: -117.190
bonds (distance) P-C4' energy: -130.192
flat angles C4'-P-C4' energy: -144.443
flat angles P-C4'-P energy: -96.984
tors. eta vs tors. theta energy: -191.106
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: 106
Temperature: 1.000000
Total energy: -2000.737422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.737422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.737422 (E_RNA)
where:
Base-Base interactions energy: -1362.443
where: short stacking energy: -600.036
Base-Backbone interact. energy: -5.514
local terms energy: -632.780066
where:
bonds (distance) C4'-P energy: -108.520
bonds (distance) P-C4' energy: -123.449
flat angles C4'-P-C4' energy: -142.080
flat angles P-C4'-P energy: -85.356
tors. eta vs tors. theta energy: -173.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1812.910489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.910489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.910489 (E_RNA)
where:
Base-Base interactions energy: -1213.181
where: short stacking energy: -552.132
Base-Backbone interact. energy: 0.514
local terms energy: -600.243570
where:
bonds (distance) C4'-P energy: -101.442
bonds (distance) P-C4' energy: -120.564
flat angles C4'-P-C4' energy: -132.897
flat angles P-C4'-P energy: -95.790
tors. eta vs tors. theta energy: -149.551
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: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1671.106862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.106862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.106862 (E_RNA)
where:
Base-Base interactions energy: -1119.091
where: short stacking energy: -515.610
Base-Backbone interact. energy: 0.592
local terms energy: -552.608064
where:
bonds (distance) C4'-P energy: -125.683
bonds (distance) P-C4' energy: -103.914
flat angles C4'-P-C4' energy: -108.735
flat angles P-C4'-P energy: -83.965
tors. eta vs tors. theta energy: -130.311
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: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1430.485022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.485022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.485022 (E_RNA)
where:
Base-Base interactions energy: -897.173
where: short stacking energy: -419.098
Base-Backbone interact. energy: -0.843
local terms energy: -532.468671
where:
bonds (distance) C4'-P energy: -106.198
bonds (distance) P-C4' energy: -112.016
flat angles C4'-P-C4' energy: -129.466
flat angles P-C4'-P energy: -84.803
tors. eta vs tors. theta energy: -99.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1304.849147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.849147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.849147 (E_RNA)
where:
Base-Base interactions energy: -807.994
where: short stacking energy: -381.273
Base-Backbone interact. energy: -0.746
local terms energy: -496.110066
where:
bonds (distance) C4'-P energy: -115.216
bonds (distance) P-C4' energy: -121.869
flat angles C4'-P-C4' energy: -113.147
flat angles P-C4'-P energy: -65.105
tors. eta vs tors. theta energy: -80.773
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: 106
Temperature: 1.250000
Total energy: -1118.657737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.657737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.657737 (E_RNA)
where:
Base-Base interactions energy: -663.487
where: short stacking energy: -338.001
Base-Backbone interact. energy: 2.099
local terms energy: -457.269534
where:
bonds (distance) C4'-P energy: -104.590
bonds (distance) P-C4' energy: -106.835
flat angles C4'-P-C4' energy: -110.318
flat angles P-C4'-P energy: -82.625
tors. eta vs tors. theta energy: -52.902
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: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -945.570796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.570796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.570796 (E_RNA)
where:
Base-Base interactions energy: -548.462
where: short stacking energy: -280.284
Base-Backbone interact. energy: -0.547
local terms energy: -396.561743
where:
bonds (distance) C4'-P energy: -102.212
bonds (distance) P-C4' energy: -91.096
flat angles C4'-P-C4' energy: -104.691
flat angles P-C4'-P energy: -74.044
tors. eta vs tors. theta energy: -24.519
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: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -753.975144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.975144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.975144 (E_RNA)
where:
Base-Base interactions energy: -419.481
where: short stacking energy: -219.291
Base-Backbone interact. energy: 2.302
local terms energy: -336.795871
where:
bonds (distance) C4'-P energy: -97.003
bonds (distance) P-C4' energy: -97.148
flat angles C4'-P-C4' energy: -81.623
flat angles P-C4'-P energy: -64.386
tors. eta vs tors. theta energy: 3.364
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: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2214.868945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.868945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.868945 (E_RNA)
where:
Base-Base interactions energy: -1519.804
where: short stacking energy: -632.406
Base-Backbone interact. energy: -2.285
local terms energy: -692.779429
where:
bonds (distance) C4'-P energy: -134.321
bonds (distance) P-C4' energy: -124.948
flat angles C4'-P-C4' energy: -162.144
flat angles P-C4'-P energy: -97.313
tors. eta vs tors. theta energy: -174.052
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: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2127.305370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.305370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.305370 (E_RNA)
where:
Base-Base interactions energy: -1437.842
where: short stacking energy: -631.191
Base-Backbone interact. energy: -1.606
local terms energy: -687.856970
where:
bonds (distance) C4'-P energy: -118.767
bonds (distance) P-C4' energy: -130.713
flat angles C4'-P-C4' energy: -149.958
flat angles P-C4'-P energy: -97.318
tors. eta vs tors. theta energy: -191.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2060.289290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.289290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.289290 (E_RNA)
where:
Base-Base interactions energy: -1410.213
where: short stacking energy: -632.144
Base-Backbone interact. energy: -0.697
local terms energy: -649.379289
where:
bonds (distance) C4'-P energy: -126.631
bonds (distance) P-C4' energy: -131.461
flat angles C4'-P-C4' energy: -137.612
flat angles P-C4'-P energy: -78.207
tors. eta vs tors. theta energy: -175.469
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: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1816.530835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.530835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.530835 (E_RNA)
where:
Base-Base interactions energy: -1203.262
where: short stacking energy: -562.028
Base-Backbone interact. energy: -2.240
local terms energy: -611.028651
where:
bonds (distance) C4'-P energy: -117.323
bonds (distance) P-C4' energy: -124.565
flat angles C4'-P-C4' energy: -129.112
flat angles P-C4'-P energy: -80.586
tors. eta vs tors. theta energy: -159.442
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: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1797.845209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.845209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.845209 (E_RNA)
where:
Base-Base interactions energy: -1200.630
where: short stacking energy: -543.084
Base-Backbone interact. energy: 1.047
local terms energy: -598.261873
where:
bonds (distance) C4'-P energy: -116.138
bonds (distance) P-C4' energy: -114.386
flat angles C4'-P-C4' energy: -129.411
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -160.312
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: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1457.684583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.684583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.684583 (E_RNA)
where:
Base-Base interactions energy: -907.202
where: short stacking energy: -416.227
Base-Backbone interact. energy: 6.177
local terms energy: -556.658959
where:
bonds (distance) C4'-P energy: -112.096
bonds (distance) P-C4' energy: -126.468
flat angles C4'-P-C4' energy: -136.090
flat angles P-C4'-P energy: -88.948
tors. eta vs tors. theta energy: -93.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1211.997524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.997524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.997524 (E_RNA)
where:
Base-Base interactions energy: -740.427
where: short stacking energy: -345.517
Base-Backbone interact. energy: -1.945
local terms energy: -469.625819
where:
bonds (distance) C4'-P energy: -120.486
bonds (distance) P-C4' energy: -116.446
flat angles C4'-P-C4' energy: -95.854
flat angles P-C4'-P energy: -85.632
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: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1088.264690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.264690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.264690 (E_RNA)
where:
Base-Base interactions energy: -640.718
where: short stacking energy: -316.187
Base-Backbone interact. energy: -2.473
local terms energy: -445.073947
where:
bonds (distance) C4'-P energy: -99.958
bonds (distance) P-C4' energy: -114.617
flat angles C4'-P-C4' energy: -113.057
flat angles P-C4'-P energy: -66.509
tors. eta vs tors. theta energy: -50.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -972.787255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.787255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.787255 (E_RNA)
where:
Base-Base interactions energy: -554.309
where: short stacking energy: -276.311
Base-Backbone interact. energy: -0.150
local terms energy: -418.328130
where:
bonds (distance) C4'-P energy: -110.360
bonds (distance) P-C4' energy: -102.522
flat angles C4'-P-C4' energy: -114.857
flat angles P-C4'-P energy: -69.525
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -764.017315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.017315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.017315 (E_RNA)
where:
Base-Base interactions energy: -413.134
where: short stacking energy: -210.067
Base-Backbone interact. energy: 0.401
local terms energy: -351.284387
where:
bonds (distance) C4'-P energy: -90.837
bonds (distance) P-C4' energy: -102.861
flat angles C4'-P-C4' energy: -90.214
flat angles P-C4'-P energy: -56.385
tors. eta vs tors. theta energy: -10.987
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: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2209.377942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.377942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.377942 (E_RNA)
where:
Base-Base interactions energy: -1539.283
where: short stacking energy: -633.258
Base-Backbone interact. energy: -0.695
local terms energy: -669.400391
where:
bonds (distance) C4'-P energy: -134.579
bonds (distance) P-C4' energy: -124.495
flat angles C4'-P-C4' energy: -144.429
flat angles P-C4'-P energy: -97.865
tors. eta vs tors. theta energy: -168.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2169.294460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.294460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.294460 (E_RNA)
where:
Base-Base interactions energy: -1447.073
where: short stacking energy: -625.941
Base-Backbone interact. energy: -1.969
local terms energy: -720.252273
where:
bonds (distance) C4'-P energy: -131.197
bonds (distance) P-C4' energy: -139.086
flat angles C4'-P-C4' energy: -150.317
flat angles P-C4'-P energy: -107.997
tors. eta vs tors. theta energy: -191.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2023.696197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.696197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.696197 (E_RNA)
where:
Base-Base interactions energy: -1383.183
where: short stacking energy: -620.548
Base-Backbone interact. energy: -1.955
local terms energy: -638.558180
where:
bonds (distance) C4'-P energy: -111.402
bonds (distance) P-C4' energy: -127.281
flat angles C4'-P-C4' energy: -135.347
flat angles P-C4'-P energy: -90.755
tors. eta vs tors. theta energy: -173.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1818.959077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.959077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.959077 (E_RNA)
where:
Base-Base interactions energy: -1197.889
where: short stacking energy: -568.666
Base-Backbone interact. energy: -4.181
local terms energy: -616.889576
where:
bonds (distance) C4'-P energy: -122.685
bonds (distance) P-C4' energy: -113.457
flat angles C4'-P-C4' energy: -136.906
flat angles P-C4'-P energy: -90.235
tors. eta vs tors. theta energy: -153.607
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: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1816.671152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.671152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.671152 (E_RNA)
where:
Base-Base interactions energy: -1214.616
where: short stacking energy: -515.230
Base-Backbone interact. energy: -4.491
local terms energy: -597.563928
where:
bonds (distance) C4'-P energy: -118.431
bonds (distance) P-C4' energy: -120.041
flat angles C4'-P-C4' energy: -132.494
flat angles P-C4'-P energy: -82.310
tors. eta vs tors. theta energy: -144.288
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: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1426.841253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.841253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.841253 (E_RNA)
where:
Base-Base interactions energy: -921.580
where: short stacking energy: -421.343
Base-Backbone interact. energy: -0.568
local terms energy: -504.693127
where:
bonds (distance) C4'-P energy: -109.673
bonds (distance) P-C4' energy: -99.142
flat angles C4'-P-C4' energy: -131.347
flat angles P-C4'-P energy: -79.087
tors. eta vs tors. theta energy: -85.444
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: 7, replica: 2
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1111.998829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.998829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.998829 (E_RNA)
where:
Base-Base interactions energy: -669.974
where: short stacking energy: -339.057
Base-Backbone interact. energy: -1.181
local terms energy: -440.844468
where:
bonds (distance) C4'-P energy: -101.171
bonds (distance) P-C4' energy: -120.887
flat angles C4'-P-C4' energy: -121.478
flat angles P-C4'-P energy: -59.121
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: 108
Temperature: 1.250000
Total energy: -1039.789968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.789968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.789968 (E_RNA)
where:
Base-Base interactions energy: -638.640
where: short stacking energy: -297.152
Base-Backbone interact. energy: -1.681
local terms energy: -399.469224
where:
bonds (distance) C4'-P energy: -107.754
bonds (distance) P-C4' energy: -101.965
flat angles C4'-P-C4' energy: -79.388
flat angles P-C4'-P energy: -74.589
tors. eta vs tors. theta energy: -35.773
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: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -908.515023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.515023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.515023 (E_RNA)
where:
Base-Base interactions energy: -513.564
where: short stacking energy: -230.564
Base-Backbone interact. energy: -3.840
local terms energy: -391.110272
where:
bonds (distance) C4'-P energy: -110.443
bonds (distance) P-C4' energy: -109.111
flat angles C4'-P-C4' energy: -113.316
flat angles P-C4'-P energy: -41.210
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -720.988199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.988199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.988199 (E_RNA)
where:
Base-Base interactions energy: -342.817
where: short stacking energy: -188.027
Base-Backbone interact. energy: 1.667
local terms energy: -379.837960
where:
bonds (distance) C4'-P energy: -109.775
bonds (distance) P-C4' energy: -128.562
flat angles C4'-P-C4' energy: -86.074
flat angles P-C4'-P energy: -51.044
tors. eta vs tors. theta energy: -4.382
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: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2230.498291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.498291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.498291 (E_RNA)
where:
Base-Base interactions energy: -1533.920
where: short stacking energy: -672.687
Base-Backbone interact. energy: 0.163
local terms energy: -696.740642
where:
bonds (distance) C4'-P energy: -131.619
bonds (distance) P-C4' energy: -146.809
flat angles C4'-P-C4' energy: -140.121
flat angles P-C4'-P energy: -94.017
tors. eta vs tors. theta energy: -184.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2174.367700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.367700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.367700 (E_RNA)
where:
Base-Base interactions energy: -1460.020
where: short stacking energy: -663.246
Base-Backbone interact. energy: -1.677
local terms energy: -712.670934
where:
bonds (distance) C4'-P energy: -136.822
bonds (distance) P-C4' energy: -124.366
flat angles C4'-P-C4' energy: -142.811
flat angles P-C4'-P energy: -108.276
tors. eta vs tors. theta energy: -200.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1974.333854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.333854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.333854 (E_RNA)
where:
Base-Base interactions energy: -1299.475
where: short stacking energy: -599.871
Base-Backbone interact. energy: -1.167
local terms energy: -673.691676
where:
bonds (distance) C4'-P energy: -134.966
bonds (distance) P-C4' energy: -125.111
flat angles C4'-P-C4' energy: -150.383
flat angles P-C4'-P energy: -92.841
tors. eta vs tors. theta energy: -170.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1817.138285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.138285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.138285 (E_RNA)
where:
Base-Base interactions energy: -1202.884
where: short stacking energy: -549.122
Base-Backbone interact. energy: -2.198
local terms energy: -612.056208
where:
bonds (distance) C4'-P energy: -123.995
bonds (distance) P-C4' energy: -117.808
flat angles C4'-P-C4' energy: -141.710
flat angles P-C4'-P energy: -78.767
tors. eta vs tors. theta energy: -149.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1806.632375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.632375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.632375 (E_RNA)
where:
Base-Base interactions energy: -1187.170
where: short stacking energy: -510.770
Base-Backbone interact. energy: -1.551
local terms energy: -617.911498
where:
bonds (distance) C4'-P energy: -129.580
bonds (distance) P-C4' energy: -123.827
flat angles C4'-P-C4' energy: -132.133
flat angles P-C4'-P energy: -82.500
tors. eta vs tors. theta energy: -149.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1480.239152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.239152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.239152 (E_RNA)
where:
Base-Base interactions energy: -945.755
where: short stacking energy: -420.105
Base-Backbone interact. energy: 0.706
local terms energy: -535.190477
where:
bonds (distance) C4'-P energy: -121.431
bonds (distance) P-C4' energy: -115.565
flat angles C4'-P-C4' energy: -127.062
flat angles P-C4'-P energy: -72.504
tors. eta vs tors. theta energy: -98.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1165.273954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.273954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.273954 (E_RNA)
where:
Base-Base interactions energy: -705.562
where: short stacking energy: -347.063
Base-Backbone interact. energy: 2.548
local terms energy: -462.259520
where:
bonds (distance) C4'-P energy: -118.342
bonds (distance) P-C4' energy: -106.883
flat angles C4'-P-C4' energy: -113.367
flat angles P-C4'-P energy: -69.551
tors. eta vs tors. theta energy: -54.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1079.860679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.860679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.860679 (E_RNA)
where:
Base-Base interactions energy: -638.889
where: short stacking energy: -296.463
Base-Backbone interact. energy: -3.909
local terms energy: -437.061924
where:
bonds (distance) C4'-P energy: -107.255
bonds (distance) P-C4' energy: -103.035
flat angles C4'-P-C4' energy: -101.545
flat angles P-C4'-P energy: -79.122
tors. eta vs tors. theta energy: -46.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -956.736754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.736754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.736754 (E_RNA)
where:
Base-Base interactions energy: -542.601
where: short stacking energy: -278.952
Base-Backbone interact. energy: -1.610
local terms energy: -412.525884
where:
bonds (distance) C4'-P energy: -94.852
bonds (distance) P-C4' energy: -118.366
flat angles C4'-P-C4' energy: -103.785
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -28.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -716.275255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.275255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.275255 (E_RNA)
where:
Base-Base interactions energy: -394.210
where: short stacking energy: -231.687
Base-Backbone interact. energy: 1.777
local terms energy: -323.842246
where:
bonds (distance) C4'-P energy: -97.030
bonds (distance) P-C4' energy: -81.833
flat angles C4'-P-C4' energy: -80.601
flat angles P-C4'-P energy: -63.969
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: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2225.968292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.968292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.968292 (E_RNA)
where:
Base-Base interactions energy: -1531.110
where: short stacking energy: -635.082
Base-Backbone interact. energy: -2.631
local terms energy: -692.227054
where:
bonds (distance) C4'-P energy: -141.291
bonds (distance) P-C4' energy: -133.158
flat angles C4'-P-C4' energy: -142.073
flat angles P-C4'-P energy: -102.650
tors. eta vs tors. theta energy: -173.055
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: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2172.608867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.608867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.608867 (E_RNA)
where:
Base-Base interactions energy: -1486.839
where: short stacking energy: -657.224
Base-Backbone interact. energy: -2.962
local terms energy: -682.807891
where:
bonds (distance) C4'-P energy: -130.990
bonds (distance) P-C4' energy: -121.091
flat angles C4'-P-C4' energy: -150.687
flat angles P-C4'-P energy: -88.867
tors. eta vs tors. theta energy: -191.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1980.355461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.355461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.355461 (E_RNA)
where:
Base-Base interactions energy: -1348.250
where: short stacking energy: -590.959
Base-Backbone interact. energy: 3.874
local terms energy: -635.979146
where:
bonds (distance) C4'-P energy: -125.538
bonds (distance) P-C4' energy: -127.967
flat angles C4'-P-C4' energy: -134.534
flat angles P-C4'-P energy: -81.309
tors. eta vs tors. theta energy: -166.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1826.404963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.404963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.404963 (E_RNA)
where:
Base-Base interactions energy: -1211.746
where: short stacking energy: -539.301
Base-Backbone interact. energy: -1.397
local terms energy: -613.262154
where:
bonds (distance) C4'-P energy: -123.172
bonds (distance) P-C4' energy: -120.852
flat angles C4'-P-C4' energy: -128.644
flat angles P-C4'-P energy: -92.586
tors. eta vs tors. theta energy: -148.009
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: 110
Temperature: 1.100000
Total energy: -1817.280161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.280161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.280161 (E_RNA)
where:
Base-Base interactions energy: -1231.431
where: short stacking energy: -529.380
Base-Backbone interact. energy: -3.010
local terms energy: -582.839455
where:
bonds (distance) C4'-P energy: -115.064
bonds (distance) P-C4' energy: -128.892
flat angles C4'-P-C4' energy: -112.398
flat angles P-C4'-P energy: -69.409
tors. eta vs tors. theta energy: -157.077
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: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1468.901344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.901344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.901344 (E_RNA)
where:
Base-Base interactions energy: -949.443
where: short stacking energy: -431.680
Base-Backbone interact. energy: -2.951
local terms energy: -516.507519
where:
bonds (distance) C4'-P energy: -115.812
bonds (distance) P-C4' energy: -136.809
flat angles C4'-P-C4' energy: -110.617
flat angles P-C4'-P energy: -67.207
tors. eta vs tors. theta energy: -86.062
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: 7, replica: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1230.903406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.903406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.903406 (E_RNA)
where:
Base-Base interactions energy: -769.941
where: short stacking energy: -358.621
Base-Backbone interact. energy: -2.099
local terms energy: -458.863477
where:
bonds (distance) C4'-P energy: -95.940
bonds (distance) P-C4' energy: -120.326
flat angles C4'-P-C4' energy: -106.505
flat angles P-C4'-P energy: -68.006
tors. eta vs tors. theta energy: -68.086
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: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1098.393210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.393210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.393210 (E_RNA)
where:
Base-Base interactions energy: -658.147
where: short stacking energy: -309.142
Base-Backbone interact. energy: 2.609
local terms energy: -442.855637
where:
bonds (distance) C4'-P energy: -111.917
bonds (distance) P-C4' energy: -112.049
flat angles C4'-P-C4' energy: -101.557
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: -64.665
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: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -969.401920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.401920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.401920 (E_RNA)
where:
Base-Base interactions energy: -538.203
where: short stacking energy: -253.197
Base-Backbone interact. energy: -1.949
local terms energy: -429.250779
where:
bonds (distance) C4'-P energy: -98.723
bonds (distance) P-C4' energy: -122.336
flat angles C4'-P-C4' energy: -105.939
flat angles P-C4'-P energy: -67.670
tors. eta vs tors. theta energy: -34.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -781.229241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.229241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.229241 (E_RNA)
where:
Base-Base interactions energy: -429.071
where: short stacking energy: -198.724
Base-Backbone interact. energy: -0.102
local terms energy: -352.056275
where:
bonds (distance) C4'-P energy: -110.513
bonds (distance) P-C4' energy: -113.298
flat angles C4'-P-C4' energy: -89.657
flat angles P-C4'-P energy: -48.039
tors. eta vs tors. theta energy: 9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2238.826799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.826799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.826799 (E_RNA)
where:
Base-Base interactions energy: -1556.849
where: short stacking energy: -669.786
Base-Backbone interact. energy: -2.047
local terms energy: -679.930615
where:
bonds (distance) C4'-P energy: -115.598
bonds (distance) P-C4' energy: -131.654
flat angles C4'-P-C4' energy: -149.821
flat angles P-C4'-P energy: -104.688
tors. eta vs tors. theta energy: -178.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2175.678452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.678452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.678452 (E_RNA)
where:
Base-Base interactions energy: -1469.613
where: short stacking energy: -637.580
Base-Backbone interact. energy: -3.354
local terms energy: -702.710829
where:
bonds (distance) C4'-P energy: -120.404
bonds (distance) P-C4' energy: -137.336
flat angles C4'-P-C4' energy: -152.308
flat angles P-C4'-P energy: -96.784
tors. eta vs tors. theta energy: -195.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2003.851111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.851111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.851111 (E_RNA)
where:
Base-Base interactions energy: -1345.489
where: short stacking energy: -603.004
Base-Backbone interact. energy: 0.889
local terms energy: -659.251004
where:
bonds (distance) C4'-P energy: -125.605
bonds (distance) P-C4' energy: -120.447
flat angles C4'-P-C4' energy: -142.716
flat angles P-C4'-P energy: -98.361
tors. eta vs tors. theta energy: -172.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1832.290318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.290318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.290318 (E_RNA)
where:
Base-Base interactions energy: -1212.550
where: short stacking energy: -561.364
Base-Backbone interact. energy: 0.646
local terms energy: -620.386168
where:
bonds (distance) C4'-P energy: -108.346
bonds (distance) P-C4' energy: -122.948
flat angles C4'-P-C4' energy: -141.065
flat angles P-C4'-P energy: -94.124
tors. eta vs tors. theta energy: -153.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1797.921805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.921805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.921805 (E_RNA)
where:
Base-Base interactions energy: -1204.428
where: short stacking energy: -535.757
Base-Backbone interact. energy: -3.007
local terms energy: -590.486352
where:
bonds (distance) C4'-P energy: -125.156
bonds (distance) P-C4' energy: -121.142
flat angles C4'-P-C4' energy: -121.338
flat angles P-C4'-P energy: -76.478
tors. eta vs tors. theta energy: -146.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1463.122390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.122390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.122390 (E_RNA)
where:
Base-Base interactions energy: -934.043
where: short stacking energy: -432.752
Base-Backbone interact. energy: 1.521
local terms energy: -530.600760
where:
bonds (distance) C4'-P energy: -113.894
bonds (distance) P-C4' energy: -119.486
flat angles C4'-P-C4' energy: -115.093
flat angles P-C4'-P energy: -70.475
tors. eta vs tors. theta energy: -111.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1280.223698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.223698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.223698 (E_RNA)
where:
Base-Base interactions energy: -781.264
where: short stacking energy: -365.275
Base-Backbone interact. energy: -3.137
local terms energy: -495.823341
where:
bonds (distance) C4'-P energy: -113.081
bonds (distance) P-C4' energy: -118.543
flat angles C4'-P-C4' energy: -108.591
flat angles P-C4'-P energy: -74.823
tors. eta vs tors. theta energy: -80.785
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: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1118.323268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.323268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.323268 (E_RNA)
where:
Base-Base interactions energy: -708.361
where: short stacking energy: -318.881
Base-Backbone interact. energy: -1.489
local terms energy: -408.474041
where:
bonds (distance) C4'-P energy: -93.478
bonds (distance) P-C4' energy: -107.567
flat angles C4'-P-C4' energy: -104.519
flat angles P-C4'-P energy: -55.527
tors. eta vs tors. theta energy: -47.383
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: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -988.428998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.428998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.428998 (E_RNA)
where:
Base-Base interactions energy: -598.844
where: short stacking energy: -279.661
Base-Backbone interact. energy: 0.801
local terms energy: -390.386277
where:
bonds (distance) C4'-P energy: -91.009
bonds (distance) P-C4' energy: -104.471
flat angles C4'-P-C4' energy: -92.371
flat angles P-C4'-P energy: -68.566
tors. eta vs tors. theta energy: -33.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -778.244001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.244001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.244001 (E_RNA)
where:
Base-Base interactions energy: -431.544
where: short stacking energy: -220.017
Base-Backbone interact. energy: -2.656
local terms energy: -344.044727
where:
bonds (distance) C4'-P energy: -91.708
bonds (distance) P-C4' energy: -105.728
flat angles C4'-P-C4' energy: -82.605
flat angles P-C4'-P energy: -63.130
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: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2247.416113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.416113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.416113 (E_RNA)
where:
Base-Base interactions energy: -1505.459
where: short stacking energy: -662.141
Base-Backbone interact. energy: -3.400
local terms energy: -738.557119
where:
bonds (distance) C4'-P energy: -135.067
bonds (distance) P-C4' energy: -139.869
flat angles C4'-P-C4' energy: -147.755
flat angles P-C4'-P energy: -117.125
tors. eta vs tors. theta energy: -198.742
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: 112
Temperature: 0.950000
Total energy: -2150.734359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.734359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.734359 (E_RNA)
where:
Base-Base interactions energy: -1477.578
where: short stacking energy: -630.220
Base-Backbone interact. energy: -2.917
local terms energy: -670.240228
where:
bonds (distance) C4'-P energy: -135.790
bonds (distance) P-C4' energy: -121.412
flat angles C4'-P-C4' energy: -142.866
flat angles P-C4'-P energy: -105.118
tors. eta vs tors. theta energy: -165.055
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: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2043.217274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.217274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.217274 (E_RNA)
where:
Base-Base interactions energy: -1376.213
where: short stacking energy: -620.791
Base-Backbone interact. energy: -1.198
local terms energy: -665.806671
where:
bonds (distance) C4'-P energy: -133.524
bonds (distance) P-C4' energy: -126.363
flat angles C4'-P-C4' energy: -123.418
flat angles P-C4'-P energy: -87.689
tors. eta vs tors. theta energy: -194.813
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: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1817.200734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.200734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.200734 (E_RNA)
where:
Base-Base interactions energy: -1210.473
where: short stacking energy: -549.475
Base-Backbone interact. energy: -0.449
local terms energy: -606.278679
where:
bonds (distance) C4'-P energy: -125.639
bonds (distance) P-C4' energy: -118.966
flat angles C4'-P-C4' energy: -118.865
flat angles P-C4'-P energy: -95.622
tors. eta vs tors. theta energy: -147.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1816.334453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.334453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.334453 (E_RNA)
where:
Base-Base interactions energy: -1224.671
where: short stacking energy: -538.316
Base-Backbone interact. energy: -3.828
local terms energy: -587.834776
where:
bonds (distance) C4'-P energy: -107.847
bonds (distance) P-C4' energy: -105.941
flat angles C4'-P-C4' energy: -130.968
flat angles P-C4'-P energy: -93.745
tors. eta vs tors. theta energy: -149.334
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: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1491.164945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.164945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.164945 (E_RNA)
where:
Base-Base interactions energy: -981.427
where: short stacking energy: -436.289
Base-Backbone interact. energy: 5.775
local terms energy: -515.513309
where:
bonds (distance) C4'-P energy: -121.447
bonds (distance) P-C4' energy: -117.667
flat angles C4'-P-C4' energy: -112.975
flat angles P-C4'-P energy: -63.394
tors. eta vs tors. theta energy: -100.030
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: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1330.334312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.334312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.334312 (E_RNA)
where:
Base-Base interactions energy: -853.691
where: short stacking energy: -401.204
Base-Backbone interact. energy: 3.854
local terms energy: -480.497135
where:
bonds (distance) C4'-P energy: -107.834
bonds (distance) P-C4' energy: -107.279
flat angles C4'-P-C4' energy: -118.691
flat angles P-C4'-P energy: -63.199
tors. eta vs tors. theta energy: -83.494
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: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1114.292215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.292215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.292215 (E_RNA)
where:
Base-Base interactions energy: -649.366
where: short stacking energy: -296.664
Base-Backbone interact. energy: 7.841
local terms energy: -472.766644
where:
bonds (distance) C4'-P energy: -106.799
bonds (distance) P-C4' energy: -122.629
flat angles C4'-P-C4' energy: -127.238
flat angles P-C4'-P energy: -79.274
tors. eta vs tors. theta energy: -36.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -972.967768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.967768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.967768 (E_RNA)
where:
Base-Base interactions energy: -591.115
where: short stacking energy: -292.544
Base-Backbone interact. energy: 0.450
local terms energy: -382.303258
where:
bonds (distance) C4'-P energy: -90.955
bonds (distance) P-C4' energy: -100.539
flat angles C4'-P-C4' energy: -98.658
flat angles P-C4'-P energy: -58.684
tors. eta vs tors. theta energy: -33.466
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: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -775.682283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.682283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.682283 (E_RNA)
where:
Base-Base interactions energy: -422.663
where: short stacking energy: -196.267
Base-Backbone interact. energy: 0.443
local terms energy: -353.461857
where:
bonds (distance) C4'-P energy: -108.404
bonds (distance) P-C4' energy: -92.630
flat angles C4'-P-C4' energy: -98.656
flat angles P-C4'-P energy: -63.996
tors. eta vs tors. theta energy: 10.225
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: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2254.445374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.445374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.445374 (E_RNA)
where:
Base-Base interactions energy: -1514.832
where: short stacking energy: -692.440
Base-Backbone interact. energy: -1.190
local terms energy: -738.423077
where:
bonds (distance) C4'-P energy: -131.284
bonds (distance) P-C4' energy: -146.852
flat angles C4'-P-C4' energy: -148.652
flat angles P-C4'-P energy: -112.385
tors. eta vs tors. theta energy: -199.249
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: 113
Temperature: 0.950000
Total energy: -2156.202088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.202088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.202088 (E_RNA)
where:
Base-Base interactions energy: -1484.966
where: short stacking energy: -642.387
Base-Backbone interact. energy: 0.736
local terms energy: -671.971572
where:
bonds (distance) C4'-P energy: -115.809
bonds (distance) P-C4' energy: -133.341
flat angles C4'-P-C4' energy: -148.939
flat angles P-C4'-P energy: -94.876
tors. eta vs tors. theta energy: -179.007
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: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1985.796618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.796618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.796618 (E_RNA)
where:
Base-Base interactions energy: -1339.473
where: short stacking energy: -575.952
Base-Backbone interact. energy: 4.754
local terms energy: -651.077779
where:
bonds (distance) C4'-P energy: -122.875
bonds (distance) P-C4' energy: -123.129
flat angles C4'-P-C4' energy: -139.451
flat angles P-C4'-P energy: -85.787
tors. eta vs tors. theta energy: -179.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1840.163692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.163692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.163692 (E_RNA)
where:
Base-Base interactions energy: -1206.938
where: short stacking energy: -534.927
Base-Backbone interact. energy: -1.724
local terms energy: -631.501724
where:
bonds (distance) C4'-P energy: -135.643
bonds (distance) P-C4' energy: -128.833
flat angles C4'-P-C4' energy: -141.514
flat angles P-C4'-P energy: -78.082
tors. eta vs tors. theta energy: -147.430
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: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1806.474408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.474408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.474408 (E_RNA)
where:
Base-Base interactions energy: -1183.217
where: short stacking energy: -536.629
Base-Backbone interact. energy: -2.510
local terms energy: -620.747544
where:
bonds (distance) C4'-P energy: -119.952
bonds (distance) P-C4' energy: -131.433
flat angles C4'-P-C4' energy: -128.113
flat angles P-C4'-P energy: -98.061
tors. eta vs tors. theta energy: -143.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1452.367768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.367768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.367768 (E_RNA)
where:
Base-Base interactions energy: -934.052
where: short stacking energy: -409.450
Base-Backbone interact. energy: -0.376
local terms energy: -517.939291
where:
bonds (distance) C4'-P energy: -119.673
bonds (distance) P-C4' energy: -111.764
flat angles C4'-P-C4' energy: -115.175
flat angles P-C4'-P energy: -66.292
tors. eta vs tors. theta energy: -105.036
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: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1298.501086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.501086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.501086 (E_RNA)
where:
Base-Base interactions energy: -810.022
where: short stacking energy: -360.770
Base-Backbone interact. energy: -2.380
local terms energy: -486.099091
where:
bonds (distance) C4'-P energy: -111.209
bonds (distance) P-C4' energy: -121.019
flat angles C4'-P-C4' energy: -112.599
flat angles P-C4'-P energy: -65.288
tors. eta vs tors. theta energy: -75.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1041.244364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.244364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.244364 (E_RNA)
where:
Base-Base interactions energy: -620.967
where: short stacking energy: -281.437
Base-Backbone interact. energy: -1.357
local terms energy: -418.920282
where:
bonds (distance) C4'-P energy: -93.935
bonds (distance) P-C4' energy: -116.529
flat angles C4'-P-C4' energy: -97.298
flat angles P-C4'-P energy: -74.885
tors. eta vs tors. theta energy: -36.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1057.349071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.349071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.349071 (E_RNA)
where:
Base-Base interactions energy: -636.150
where: short stacking energy: -327.080
Base-Backbone interact. energy: -2.133
local terms energy: -419.066468
where:
bonds (distance) C4'-P energy: -95.744
bonds (distance) P-C4' energy: -110.881
flat angles C4'-P-C4' energy: -109.638
flat angles P-C4'-P energy: -54.392
tors. eta vs tors. theta energy: -48.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -785.921379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.921379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.921379 (E_RNA)
where:
Base-Base interactions energy: -440.536
where: short stacking energy: -226.315
Base-Backbone interact. energy: 5.965
local terms energy: -351.350528
where:
bonds (distance) C4'-P energy: -89.429
bonds (distance) P-C4' energy: -105.247
flat angles C4'-P-C4' energy: -100.362
flat angles P-C4'-P energy: -39.255
tors. eta vs tors. theta energy: -17.059
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: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2250.464220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.464220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.464220 (E_RNA)
where:
Base-Base interactions energy: -1513.817
where: short stacking energy: -678.742
Base-Backbone interact. energy: -4.346
local terms energy: -732.301596
where:
bonds (distance) C4'-P energy: -136.419
bonds (distance) P-C4' energy: -138.551
flat angles C4'-P-C4' energy: -150.472
flat angles P-C4'-P energy: -112.165
tors. eta vs tors. theta energy: -194.694
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: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2116.868965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.868965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.868965 (E_RNA)
where:
Base-Base interactions energy: -1439.919
where: short stacking energy: -597.806
Base-Backbone interact. energy: -4.620
local terms energy: -672.330602
where:
bonds (distance) C4'-P energy: -128.510
bonds (distance) P-C4' energy: -133.886
flat angles C4'-P-C4' energy: -151.482
flat angles P-C4'-P energy: -94.699
tors. eta vs tors. theta energy: -163.754
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: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2023.907264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.907264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.907264 (E_RNA)
where:
Base-Base interactions energy: -1382.108
where: short stacking energy: -589.007
Base-Backbone interact. energy: -3.956
local terms energy: -637.842473
where:
bonds (distance) C4'-P energy: -122.315
bonds (distance) P-C4' energy: -126.623
flat angles C4'-P-C4' energy: -134.398
flat angles P-C4'-P energy: -78.745
tors. eta vs tors. theta energy: -175.762
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: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1849.636640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.636640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.636640 (E_RNA)
where:
Base-Base interactions energy: -1217.054
where: short stacking energy: -551.074
Base-Backbone interact. energy: -1.311
local terms energy: -631.271630
where:
bonds (distance) C4'-P energy: -125.765
bonds (distance) P-C4' energy: -122.377
flat angles C4'-P-C4' energy: -137.965
flat angles P-C4'-P energy: -90.980
tors. eta vs tors. theta energy: -154.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1781.931427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.931427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.931427 (E_RNA)
where:
Base-Base interactions energy: -1183.723
where: short stacking energy: -510.002
Base-Backbone interact. energy: -2.304
local terms energy: -595.904917
where:
bonds (distance) C4'-P energy: -125.565
bonds (distance) P-C4' energy: -134.366
flat angles C4'-P-C4' energy: -120.553
flat angles P-C4'-P energy: -73.566
tors. eta vs tors. theta energy: -141.855
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: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1434.806993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.806993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.806993 (E_RNA)
where:
Base-Base interactions energy: -910.754
where: short stacking energy: -437.153
Base-Backbone interact. energy: 2.006
local terms energy: -526.058534
where:
bonds (distance) C4'-P energy: -105.457
bonds (distance) P-C4' energy: -126.340
flat angles C4'-P-C4' energy: -123.346
flat angles P-C4'-P energy: -72.973
tors. eta vs tors. theta energy: -97.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1297.635678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.635678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.635678 (E_RNA)
where:
Base-Base interactions energy: -795.318
where: short stacking energy: -405.125
Base-Backbone interact. energy: 1.869
local terms energy: -504.186173
where:
bonds (distance) C4'-P energy: -129.558
bonds (distance) P-C4' energy: -122.618
flat angles C4'-P-C4' energy: -108.927
flat angles P-C4'-P energy: -65.726
tors. eta vs tors. theta energy: -77.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1037.699908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.699908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.699908 (E_RNA)
where:
Base-Base interactions energy: -595.552
where: short stacking energy: -325.806
Base-Backbone interact. energy: 0.228
local terms energy: -442.376267
where:
bonds (distance) C4'-P energy: -117.854
bonds (distance) P-C4' energy: -108.504
flat angles C4'-P-C4' energy: -101.137
flat angles P-C4'-P energy: -66.242
tors. eta vs tors. theta energy: -48.639
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: 114
Temperature: 1.300000
Total energy: -1071.623490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.623490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.623490 (E_RNA)
where:
Base-Base interactions energy: -613.153
where: short stacking energy: -303.434
Base-Backbone interact. energy: 3.238
local terms energy: -461.708532
where:
bonds (distance) C4'-P energy: -114.938
bonds (distance) P-C4' energy: -117.501
flat angles C4'-P-C4' energy: -107.714
flat angles P-C4'-P energy: -67.767
tors. eta vs tors. theta energy: -53.789
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: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -809.518558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.518558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.518558 (E_RNA)
where:
Base-Base interactions energy: -463.331
where: short stacking energy: -234.069
Base-Backbone interact. energy: 0.294
local terms energy: -346.481537
where:
bonds (distance) C4'-P energy: -95.638
bonds (distance) P-C4' energy: -106.049
flat angles C4'-P-C4' energy: -104.170
flat angles P-C4'-P energy: -41.665
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: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2213.101550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.101550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.101550 (E_RNA)
where:
Base-Base interactions energy: -1517.290
where: short stacking energy: -664.800
Base-Backbone interact. energy: 0.043
local terms energy: -695.855164
where:
bonds (distance) C4'-P energy: -121.640
bonds (distance) P-C4' energy: -125.496
flat angles C4'-P-C4' energy: -150.344
flat angles P-C4'-P energy: -111.485
tors. eta vs tors. theta energy: -186.891
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: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2152.290813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.290813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.290813 (E_RNA)
where:
Base-Base interactions energy: -1470.561
where: short stacking energy: -631.662
Base-Backbone interact. energy: -2.906
local terms energy: -678.823877
where:
bonds (distance) C4'-P energy: -132.431
bonds (distance) P-C4' energy: -138.481
flat angles C4'-P-C4' energy: -140.577
flat angles P-C4'-P energy: -93.941
tors. eta vs tors. theta energy: -173.393
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: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2041.664671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.664671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.664671 (E_RNA)
where:
Base-Base interactions energy: -1361.425
where: short stacking energy: -637.104
Base-Backbone interact. energy: -2.233
local terms energy: -678.006110
where:
bonds (distance) C4'-P energy: -116.587
bonds (distance) P-C4' energy: -129.340
flat angles C4'-P-C4' energy: -136.215
flat angles P-C4'-P energy: -107.106
tors. eta vs tors. theta energy: -188.758
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: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1839.588154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.588154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.588154 (E_RNA)
where:
Base-Base interactions energy: -1231.284
where: short stacking energy: -546.389
Base-Backbone interact. energy: -4.532
local terms energy: -603.772549
where:
bonds (distance) C4'-P energy: -111.456
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -138.205
flat angles P-C4'-P energy: -89.208
tors. eta vs tors. theta energy: -153.455
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: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1774.087955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.087955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.087955 (E_RNA)
where:
Base-Base interactions energy: -1230.122
where: short stacking energy: -542.181
Base-Backbone interact. energy: -0.015
local terms energy: -543.951155
where:
bonds (distance) C4'-P energy: -104.223
bonds (distance) P-C4' energy: -93.993
flat angles C4'-P-C4' energy: -134.512
flat angles P-C4'-P energy: -66.936
tors. eta vs tors. theta energy: -144.287
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: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1448.395104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.395104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.395104 (E_RNA)
where:
Base-Base interactions energy: -944.944
where: short stacking energy: -410.368
Base-Backbone interact. energy: 0.962
local terms energy: -504.412543
where:
bonds (distance) C4'-P energy: -127.561
bonds (distance) P-C4' energy: -95.981
flat angles C4'-P-C4' energy: -115.152
flat angles P-C4'-P energy: -84.412
tors. eta vs tors. theta energy: -81.307
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: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1207.245152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.245152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.245152 (E_RNA)
where:
Base-Base interactions energy: -733.331
where: short stacking energy: -348.085
Base-Backbone interact. energy: 1.444
local terms energy: -475.358185
where:
bonds (distance) C4'-P energy: -117.482
bonds (distance) P-C4' energy: -121.115
flat angles C4'-P-C4' energy: -103.037
flat angles P-C4'-P energy: -65.951
tors. eta vs tors. theta energy: -67.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1109.792196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.792196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.792196 (E_RNA)
where:
Base-Base interactions energy: -654.481
where: short stacking energy: -356.377
Base-Backbone interact. energy: 3.853
local terms energy: -459.163711
where:
bonds (distance) C4'-P energy: -92.874
bonds (distance) P-C4' energy: -129.672
flat angles C4'-P-C4' energy: -135.433
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: -45.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -954.145414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.145414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.145414 (E_RNA)
where:
Base-Base interactions energy: -571.135
where: short stacking energy: -281.589
Base-Backbone interact. energy: -2.092
local terms energy: -380.918534
where:
bonds (distance) C4'-P energy: -98.297
bonds (distance) P-C4' energy: -110.949
flat angles C4'-P-C4' energy: -85.471
flat angles P-C4'-P energy: -63.328
tors. eta vs tors. theta energy: -22.873
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: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -781.254316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.254316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.254316 (E_RNA)
where:
Base-Base interactions energy: -417.538
where: short stacking energy: -227.434
Base-Backbone interact. energy: -3.013
local terms energy: -360.703409
where:
bonds (distance) C4'-P energy: -100.829
bonds (distance) P-C4' energy: -110.742
flat angles C4'-P-C4' energy: -109.284
flat angles P-C4'-P energy: -40.697
tors. eta vs tors. theta energy: 0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2231.958838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.958838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.958838 (E_RNA)
where:
Base-Base interactions energy: -1519.394
where: short stacking energy: -669.054
Base-Backbone interact. energy: -2.209
local terms energy: -710.355646
where:
bonds (distance) C4'-P energy: -125.353
bonds (distance) P-C4' energy: -139.356
flat angles C4'-P-C4' energy: -155.090
flat angles P-C4'-P energy: -105.597
tors. eta vs tors. theta energy: -184.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2155.671769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.671769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.671769 (E_RNA)
where:
Base-Base interactions energy: -1489.942
where: short stacking energy: -607.079
Base-Backbone interact. energy: -1.315
local terms energy: -664.414998
where:
bonds (distance) C4'-P energy: -117.874
bonds (distance) P-C4' energy: -136.678
flat angles C4'-P-C4' energy: -140.428
flat angles P-C4'-P energy: -99.768
tors. eta vs tors. theta energy: -169.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2041.144891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.144891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.144891 (E_RNA)
where:
Base-Base interactions energy: -1399.174
where: short stacking energy: -608.827
Base-Backbone interact. energy: -3.054
local terms energy: -638.917430
where:
bonds (distance) C4'-P energy: -114.826
bonds (distance) P-C4' energy: -138.037
flat angles C4'-P-C4' energy: -125.740
flat angles P-C4'-P energy: -88.314
tors. eta vs tors. theta energy: -172.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1854.883650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.883650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.883650 (E_RNA)
where:
Base-Base interactions energy: -1245.496
where: short stacking energy: -542.688
Base-Backbone interact. energy: -3.763
local terms energy: -605.624075
where:
bonds (distance) C4'-P energy: -125.338
bonds (distance) P-C4' energy: -116.563
flat angles C4'-P-C4' energy: -133.066
flat angles P-C4'-P energy: -93.203
tors. eta vs tors. theta energy: -137.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1778.594794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.594794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.594794 (E_RNA)
where:
Base-Base interactions energy: -1178.173
where: short stacking energy: -514.179
Base-Backbone interact. energy: -1.020
local terms energy: -599.400871
where:
bonds (distance) C4'-P energy: -120.460
bonds (distance) P-C4' energy: -124.192
flat angles C4'-P-C4' energy: -123.909
flat angles P-C4'-P energy: -78.720
tors. eta vs tors. theta energy: -152.120
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1462.272786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.272786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.272786 (E_RNA)
where:
Base-Base interactions energy: -958.057
where: short stacking energy: -434.407
Base-Backbone interact. energy: -4.226
local terms energy: -499.989290
where:
bonds (distance) C4'-P energy: -122.873
bonds (distance) P-C4' energy: -102.181
flat angles C4'-P-C4' energy: -113.799
flat angles P-C4'-P energy: -76.985
tors. eta vs tors. theta energy: -84.151
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: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1267.773523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.773523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.773523 (E_RNA)
where:
Base-Base interactions energy: -758.547
where: short stacking energy: -381.239
Base-Backbone interact. energy: -2.545
local terms energy: -506.681227
where:
bonds (distance) C4'-P energy: -107.752
bonds (distance) P-C4' energy: -119.155
flat angles C4'-P-C4' energy: -119.114
flat angles P-C4'-P energy: -76.451
tors. eta vs tors. theta energy: -84.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1102.589208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.589208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.589208 (E_RNA)
where:
Base-Base interactions energy: -654.677
where: short stacking energy: -309.348
Base-Backbone interact. energy: -2.187
local terms energy: -445.725020
where:
bonds (distance) C4'-P energy: -103.138
bonds (distance) P-C4' energy: -125.188
flat angles C4'-P-C4' energy: -109.511
flat angles P-C4'-P energy: -49.211
tors. eta vs tors. theta energy: -58.677
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: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -976.249823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.249823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.249823 (E_RNA)
where:
Base-Base interactions energy: -566.106
where: short stacking energy: -294.492
Base-Backbone interact. energy: 4.552
local terms energy: -414.695663
where:
bonds (distance) C4'-P energy: -92.043
bonds (distance) P-C4' energy: -114.518
flat angles C4'-P-C4' energy: -99.588
flat angles P-C4'-P energy: -60.933
tors. eta vs tors. theta energy: -47.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -795.057519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.057519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.057519 (E_RNA)
where:
Base-Base interactions energy: -429.367
where: short stacking energy: -233.598
Base-Backbone interact. energy: -0.191
local terms energy: -365.498897
where:
bonds (distance) C4'-P energy: -106.862
bonds (distance) P-C4' energy: -115.947
flat angles C4'-P-C4' energy: -78.684
flat angles P-C4'-P energy: -59.095
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2207.631779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.631779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.631779 (E_RNA)
where:
Base-Base interactions energy: -1503.505
where: short stacking energy: -657.999
Base-Backbone interact. energy: 0.219
local terms energy: -704.346561
where:
bonds (distance) C4'-P energy: -133.779
bonds (distance) P-C4' energy: -131.821
flat angles C4'-P-C4' energy: -153.962
flat angles P-C4'-P energy: -95.756
tors. eta vs tors. theta energy: -189.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2132.671552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.671552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.671552 (E_RNA)
where:
Base-Base interactions energy: -1469.565
where: short stacking energy: -638.236
Base-Backbone interact. energy: 1.839
local terms energy: -664.945028
where:
bonds (distance) C4'-P energy: -119.898
bonds (distance) P-C4' energy: -128.249
flat angles C4'-P-C4' energy: -143.247
flat angles P-C4'-P energy: -103.012
tors. eta vs tors. theta energy: -170.538
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: 117
Temperature: 1.000000
Total energy: -2032.033126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.033126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.033126 (E_RNA)
where:
Base-Base interactions energy: -1386.048
where: short stacking energy: -642.154
Base-Backbone interact. energy: -2.253
local terms energy: -643.732472
where:
bonds (distance) C4'-P energy: -116.093
bonds (distance) P-C4' energy: -122.611
flat angles C4'-P-C4' energy: -144.174
flat angles P-C4'-P energy: -87.653
tors. eta vs tors. theta energy: -173.201
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: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1841.614308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.614308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.614308 (E_RNA)
where:
Base-Base interactions energy: -1250.824
where: short stacking energy: -529.560
Base-Backbone interact. energy: -0.967
local terms energy: -589.823151
where:
bonds (distance) C4'-P energy: -112.737
bonds (distance) P-C4' energy: -120.798
flat angles C4'-P-C4' energy: -136.438
flat angles P-C4'-P energy: -81.444
tors. eta vs tors. theta energy: -138.405
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: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1739.112832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.112832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.112832 (E_RNA)
where:
Base-Base interactions energy: -1137.162
where: short stacking energy: -497.557
Base-Backbone interact. energy: -1.675
local terms energy: -600.276044
where:
bonds (distance) C4'-P energy: -121.438
bonds (distance) P-C4' energy: -125.693
flat angles C4'-P-C4' energy: -126.510
flat angles P-C4'-P energy: -78.658
tors. eta vs tors. theta energy: -147.978
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: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1459.489705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.489705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.489705 (E_RNA)
where:
Base-Base interactions energy: -921.832
where: short stacking energy: -401.268
Base-Backbone interact. energy: -2.673
local terms energy: -534.984741
where:
bonds (distance) C4'-P energy: -123.102
bonds (distance) P-C4' energy: -130.182
flat angles C4'-P-C4' energy: -125.225
flat angles P-C4'-P energy: -71.550
tors. eta vs tors. theta energy: -84.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1219.875202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.875202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.875202 (E_RNA)
where:
Base-Base interactions energy: -734.496
where: short stacking energy: -372.975
Base-Backbone interact. energy: -1.962
local terms energy: -483.417713
where:
bonds (distance) C4'-P energy: -119.544
bonds (distance) P-C4' energy: -112.266
flat angles C4'-P-C4' energy: -107.367
flat angles P-C4'-P energy: -73.823
tors. eta vs tors. theta energy: -70.417
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: 117
Temperature: 1.250000
Total energy: -1063.274236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.274236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.274236 (E_RNA)
where:
Base-Base interactions energy: -639.131
where: short stacking energy: -322.772
Base-Backbone interact. energy: -0.662
local terms energy: -423.481249
where:
bonds (distance) C4'-P energy: -101.605
bonds (distance) P-C4' energy: -110.047
flat angles C4'-P-C4' energy: -108.803
flat angles P-C4'-P energy: -63.952
tors. eta vs tors. theta energy: -39.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -978.489417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.489417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.489417 (E_RNA)
where:
Base-Base interactions energy: -562.519
where: short stacking energy: -276.076
Base-Backbone interact. energy: 8.601
local terms energy: -424.571199
where:
bonds (distance) C4'-P energy: -106.013
bonds (distance) P-C4' energy: -113.513
flat angles C4'-P-C4' energy: -99.476
flat angles P-C4'-P energy: -78.360
tors. eta vs tors. theta energy: -27.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -815.861063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.861063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.861063 (E_RNA)
where:
Base-Base interactions energy: -448.063
where: short stacking energy: -232.301
Base-Backbone interact. energy: 4.917
local terms energy: -372.714816
where:
bonds (distance) C4'-P energy: -85.738
bonds (distance) P-C4' energy: -114.810
flat angles C4'-P-C4' energy: -96.517
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2234.464430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.464430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.464430 (E_RNA)
where:
Base-Base interactions energy: -1536.485
where: short stacking energy: -654.661
Base-Backbone interact. energy: -1.211
local terms energy: -696.768542
where:
bonds (distance) C4'-P energy: -128.709
bonds (distance) P-C4' energy: -124.206
flat angles C4'-P-C4' energy: -139.882
flat angles P-C4'-P energy: -111.765
tors. eta vs tors. theta energy: -192.206
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: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2157.390719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.390719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.390719 (E_RNA)
where:
Base-Base interactions energy: -1474.793
where: short stacking energy: -620.749
Base-Backbone interact. energy: -2.696
local terms energy: -679.901769
where:
bonds (distance) C4'-P energy: -128.248
bonds (distance) P-C4' energy: -136.324
flat angles C4'-P-C4' energy: -146.413
flat angles P-C4'-P energy: -93.818
tors. eta vs tors. theta energy: -175.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2026.669775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.669775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.669775 (E_RNA)
where:
Base-Base interactions energy: -1345.334
where: short stacking energy: -587.217
Base-Backbone interact. energy: -1.776
local terms energy: -679.559744
where:
bonds (distance) C4'-P energy: -129.930
bonds (distance) P-C4' energy: -136.440
flat angles C4'-P-C4' energy: -146.234
flat angles P-C4'-P energy: -86.743
tors. eta vs tors. theta energy: -180.213
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: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1862.124422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.124422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.124422 (E_RNA)
where:
Base-Base interactions energy: -1220.342
where: short stacking energy: -537.061
Base-Backbone interact. energy: -1.099
local terms energy: -640.683282
where:
bonds (distance) C4'-P energy: -125.646
bonds (distance) P-C4' energy: -132.633
flat angles C4'-P-C4' energy: -137.703
flat angles P-C4'-P energy: -88.948
tors. eta vs tors. theta energy: -155.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1693.297494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.297494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.297494 (E_RNA)
where:
Base-Base interactions energy: -1109.022
where: short stacking energy: -465.432
Base-Backbone interact. energy: 0.639
local terms energy: -584.915024
where:
bonds (distance) C4'-P energy: -112.227
bonds (distance) P-C4' energy: -112.278
flat angles C4'-P-C4' energy: -133.896
flat angles P-C4'-P energy: -94.960
tors. eta vs tors. theta energy: -131.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1527.631285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.631285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.631285 (E_RNA)
where:
Base-Base interactions energy: -1006.023
where: short stacking energy: -438.860
Base-Backbone interact. energy: -2.851
local terms energy: -518.757237
where:
bonds (distance) C4'-P energy: -120.555
bonds (distance) P-C4' energy: -95.085
flat angles C4'-P-C4' energy: -128.887
flat angles P-C4'-P energy: -75.781
tors. eta vs tors. theta energy: -98.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1212.752422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.752422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.752422 (E_RNA)
where:
Base-Base interactions energy: -734.653
where: short stacking energy: -348.535
Base-Backbone interact. energy: -5.259
local terms energy: -472.839914
where:
bonds (distance) C4'-P energy: -107.950
bonds (distance) P-C4' energy: -112.946
flat angles C4'-P-C4' energy: -111.791
flat angles P-C4'-P energy: -78.030
tors. eta vs tors. theta energy: -62.122
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: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -980.566269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.566269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.566269 (E_RNA)
where:
Base-Base interactions energy: -546.905
where: short stacking energy: -255.650
Base-Backbone interact. energy: 4.290
local terms energy: -437.951289
where:
bonds (distance) C4'-P energy: -128.687
bonds (distance) P-C4' energy: -108.456
flat angles C4'-P-C4' energy: -114.055
flat angles P-C4'-P energy: -67.576
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -965.084001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.084001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.084001 (E_RNA)
where:
Base-Base interactions energy: -537.193
where: short stacking energy: -255.457
Base-Backbone interact. energy: -1.117
local terms energy: -426.773557
where:
bonds (distance) C4'-P energy: -98.608
bonds (distance) P-C4' energy: -117.266
flat angles C4'-P-C4' energy: -116.189
flat angles P-C4'-P energy: -58.431
tors. eta vs tors. theta energy: -36.279
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: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -802.598836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.598836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.598836 (E_RNA)
where:
Base-Base interactions energy: -423.185
where: short stacking energy: -229.822
Base-Backbone interact. energy: 1.299
local terms energy: -380.712214
where:
bonds (distance) C4'-P energy: -120.561
bonds (distance) P-C4' energy: -82.683
flat angles C4'-P-C4' energy: -104.083
flat angles P-C4'-P energy: -52.787
tors. eta vs tors. theta energy: -20.599
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: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2260.130468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.130468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.130468 (E_RNA)
where:
Base-Base interactions energy: -1551.091
where: short stacking energy: -668.673
Base-Backbone interact. energy: -2.853
local terms energy: -706.186931
where:
bonds (distance) C4'-P energy: -139.429
bonds (distance) P-C4' energy: -149.247
flat angles C4'-P-C4' energy: -125.871
flat angles P-C4'-P energy: -100.246
tors. eta vs tors. theta energy: -191.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2106.004605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.004605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.004605 (E_RNA)
where:
Base-Base interactions energy: -1464.668
where: short stacking energy: -624.196
Base-Backbone interact. energy: 2.671
local terms energy: -644.008113
where:
bonds (distance) C4'-P energy: -115.660
bonds (distance) P-C4' energy: -130.069
flat angles C4'-P-C4' energy: -148.772
flat angles P-C4'-P energy: -84.101
tors. eta vs tors. theta energy: -165.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2077.091597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.091597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.091597 (E_RNA)
where:
Base-Base interactions energy: -1425.300
where: short stacking energy: -628.397
Base-Backbone interact. energy: -2.165
local terms energy: -649.627100
where:
bonds (distance) C4'-P energy: -114.437
bonds (distance) P-C4' energy: -114.496
flat angles C4'-P-C4' energy: -139.499
flat angles P-C4'-P energy: -96.018
tors. eta vs tors. theta energy: -185.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1837.733387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.733387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.733387 (E_RNA)
where:
Base-Base interactions energy: -1231.840
where: short stacking energy: -532.493
Base-Backbone interact. energy: -3.107
local terms energy: -602.786275
where:
bonds (distance) C4'-P energy: -112.727
bonds (distance) P-C4' energy: -114.585
flat angles C4'-P-C4' energy: -137.656
flat angles P-C4'-P energy: -87.420
tors. eta vs tors. theta energy: -150.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1748.629252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.629252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.629252 (E_RNA)
where:
Base-Base interactions energy: -1154.123
where: short stacking energy: -526.347
Base-Backbone interact. energy: -1.033
local terms energy: -593.473168
where:
bonds (distance) C4'-P energy: -112.621
bonds (distance) P-C4' energy: -136.357
flat angles C4'-P-C4' energy: -132.898
flat angles P-C4'-P energy: -69.428
tors. eta vs tors. theta energy: -142.169
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: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1501.815222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.815222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.815222 (E_RNA)
where:
Base-Base interactions energy: -965.261
where: short stacking energy: -418.855
Base-Backbone interact. energy: -2.203
local terms energy: -534.351177
where:
bonds (distance) C4'-P energy: -123.772
bonds (distance) P-C4' energy: -118.157
flat angles C4'-P-C4' energy: -132.726
flat angles P-C4'-P energy: -67.520
tors. eta vs tors. theta energy: -92.176
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: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1222.129294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.129294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.129294 (E_RNA)
where:
Base-Base interactions energy: -732.524
where: short stacking energy: -348.929
Base-Backbone interact. energy: -1.236
local terms energy: -488.369472
where:
bonds (distance) C4'-P energy: -108.978
bonds (distance) P-C4' energy: -110.193
flat angles C4'-P-C4' energy: -121.608
flat angles P-C4'-P energy: -67.958
tors. eta vs tors. theta energy: -79.633
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: 119
Temperature: 1.250000
Total energy: -999.573709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.573709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.573709 (E_RNA)
where:
Base-Base interactions energy: -535.029
where: short stacking energy: -272.959
Base-Backbone interact. energy: -1.601
local terms energy: -462.943898
where:
bonds (distance) C4'-P energy: -113.156
bonds (distance) P-C4' energy: -123.919
flat angles C4'-P-C4' energy: -115.162
flat angles P-C4'-P energy: -79.952
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: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -910.454002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.454002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.454002 (E_RNA)
where:
Base-Base interactions energy: -499.590
where: short stacking energy: -241.106
Base-Backbone interact. energy: -3.609
local terms energy: -407.255455
where:
bonds (distance) C4'-P energy: -103.082
bonds (distance) P-C4' energy: -104.598
flat angles C4'-P-C4' energy: -95.109
flat angles P-C4'-P energy: -67.103
tors. eta vs tors. theta energy: -37.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -828.280504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.280504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.280504 (E_RNA)
where:
Base-Base interactions energy: -468.997
where: short stacking energy: -245.559
Base-Backbone interact. energy: -0.476
local terms energy: -358.808193
where:
bonds (distance) C4'-P energy: -88.291
bonds (distance) P-C4' energy: -94.552
flat angles C4'-P-C4' energy: -106.012
flat angles P-C4'-P energy: -58.176
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2231.892151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.892151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.892151 (E_RNA)
where:
Base-Base interactions energy: -1527.648
where: short stacking energy: -665.472
Base-Backbone interact. energy: -4.861
local terms energy: -699.383045
where:
bonds (distance) C4'-P energy: -128.898
bonds (distance) P-C4' energy: -139.182
flat angles C4'-P-C4' energy: -141.446
flat angles P-C4'-P energy: -96.660
tors. eta vs tors. theta energy: -193.197
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: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2129.846451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.846451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.846451 (E_RNA)
where:
Base-Base interactions energy: -1466.621
where: short stacking energy: -623.314
Base-Backbone interact. energy: -3.512
local terms energy: -659.713615
where:
bonds (distance) C4'-P energy: -116.388
bonds (distance) P-C4' energy: -124.455
flat angles C4'-P-C4' energy: -140.675
flat angles P-C4'-P energy: -108.295
tors. eta vs tors. theta energy: -169.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2020.477430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.477430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.477430 (E_RNA)
where:
Base-Base interactions energy: -1364.468
where: short stacking energy: -562.900
Base-Backbone interact. energy: -4.217
local terms energy: -651.792162
where:
bonds (distance) C4'-P energy: -108.685
bonds (distance) P-C4' energy: -145.118
flat angles C4'-P-C4' energy: -133.035
flat angles P-C4'-P energy: -100.808
tors. eta vs tors. theta energy: -164.147
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: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1862.906792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.906792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.906792 (E_RNA)
where:
Base-Base interactions energy: -1260.482
where: short stacking energy: -530.692
Base-Backbone interact. energy: -1.241
local terms energy: -601.183284
where:
bonds (distance) C4'-P energy: -117.616
bonds (distance) P-C4' energy: -137.312
flat angles C4'-P-C4' energy: -126.168
flat angles P-C4'-P energy: -66.516
tors. eta vs tors. theta energy: -153.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1769.859221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.859221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.859221 (E_RNA)
where:
Base-Base interactions energy: -1161.409
where: short stacking energy: -545.109
Base-Backbone interact. energy: -0.099
local terms energy: -608.351188
where:
bonds (distance) C4'-P energy: -117.605
bonds (distance) P-C4' energy: -114.376
flat angles C4'-P-C4' energy: -136.407
flat angles P-C4'-P energy: -83.725
tors. eta vs tors. theta energy: -156.238
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: 6, replica: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1532.327970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.327970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.327970 (E_RNA)
where:
Base-Base interactions energy: -995.139
where: short stacking energy: -444.437
Base-Backbone interact. energy: -3.489
local terms energy: -533.699884
where:
bonds (distance) C4'-P energy: -114.603
bonds (distance) P-C4' energy: -121.221
flat angles C4'-P-C4' energy: -117.998
flat angles P-C4'-P energy: -74.322
tors. eta vs tors. theta energy: -105.556
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: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1206.965647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.965647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.965647 (E_RNA)
where:
Base-Base interactions energy: -747.898
where: short stacking energy: -353.394
Base-Backbone interact. energy: -1.611
local terms energy: -457.455984
where:
bonds (distance) C4'-P energy: -109.987
bonds (distance) P-C4' energy: -131.504
flat angles C4'-P-C4' energy: -100.078
flat angles P-C4'-P energy: -58.204
tors. eta vs tors. theta energy: -57.683
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: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1000.766250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.766250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.766250 (E_RNA)
where:
Base-Base interactions energy: -564.900
where: short stacking energy: -308.313
Base-Backbone interact. energy: 2.405
local terms energy: -438.270698
where:
bonds (distance) C4'-P energy: -102.168
bonds (distance) P-C4' energy: -119.843
flat angles C4'-P-C4' energy: -115.554
flat angles P-C4'-P energy: -61.323
tors. eta vs tors. theta energy: -39.383
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: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -988.227374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.227374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.227374 (E_RNA)
where:
Base-Base interactions energy: -571.742
where: short stacking energy: -256.762
Base-Backbone interact. energy: -1.147
local terms energy: -415.338181
where:
bonds (distance) C4'-P energy: -101.120
bonds (distance) P-C4' energy: -122.413
flat angles C4'-P-C4' energy: -89.481
flat angles P-C4'-P energy: -58.736
tors. eta vs tors. theta energy: -43.588
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: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -814.446859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.446859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.446859 (E_RNA)
where:
Base-Base interactions energy: -452.437
where: short stacking energy: -242.529
Base-Backbone interact. energy: 11.555
local terms energy: -373.564490
where:
bonds (distance) C4'-P energy: -90.867
bonds (distance) P-C4' energy: -106.871
flat angles C4'-P-C4' energy: -93.009
flat angles P-C4'-P energy: -76.693
tors. eta vs tors. theta energy: -6.125
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: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2246.179208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.179208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.179208 (E_RNA)
where:
Base-Base interactions energy: -1522.052
where: short stacking energy: -665.286
Base-Backbone interact. energy: -4.704
local terms energy: -719.423370
where:
bonds (distance) C4'-P energy: -134.088
bonds (distance) P-C4' energy: -132.392
flat angles C4'-P-C4' energy: -156.585
flat angles P-C4'-P energy: -105.081
tors. eta vs tors. theta energy: -191.277
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: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2125.974394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.974394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.974394 (E_RNA)
where:
Base-Base interactions energy: -1465.392
where: short stacking energy: -619.391
Base-Backbone interact. energy: -1.821
local terms energy: -658.761754
where:
bonds (distance) C4'-P energy: -120.547
bonds (distance) P-C4' energy: -133.227
flat angles C4'-P-C4' energy: -139.823
flat angles P-C4'-P energy: -92.622
tors. eta vs tors. theta energy: -172.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2064.947411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.947411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.947411 (E_RNA)
where:
Base-Base interactions energy: -1416.594
where: short stacking energy: -600.659
Base-Backbone interact. energy: -1.034
local terms energy: -647.319327
where:
bonds (distance) C4'-P energy: -112.546
bonds (distance) P-C4' energy: -120.801
flat angles C4'-P-C4' energy: -142.511
flat angles P-C4'-P energy: -96.147
tors. eta vs tors. theta energy: -175.315
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: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1897.761864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.761864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.761864 (E_RNA)
where:
Base-Base interactions energy: -1281.787
where: short stacking energy: -565.628
Base-Backbone interact. energy: 2.654
local terms energy: -618.628958
where:
bonds (distance) C4'-P energy: -118.765
bonds (distance) P-C4' energy: -121.227
flat angles C4'-P-C4' energy: -134.956
flat angles P-C4'-P energy: -76.988
tors. eta vs tors. theta energy: -166.693
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: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1734.297012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.297012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.297012 (E_RNA)
where:
Base-Base interactions energy: -1150.698
where: short stacking energy: -520.250
Base-Backbone interact. energy: -0.769
local terms energy: -582.829810
where:
bonds (distance) C4'-P energy: -109.106
bonds (distance) P-C4' energy: -114.932
flat angles C4'-P-C4' energy: -132.748
flat angles P-C4'-P energy: -81.126
tors. eta vs tors. theta energy: -144.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1459.300353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.300353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.300353 (E_RNA)
where:
Base-Base interactions energy: -909.705
where: short stacking energy: -429.607
Base-Backbone interact. energy: -4.214
local terms energy: -545.381757
where:
bonds (distance) C4'-P energy: -123.903
bonds (distance) P-C4' energy: -112.186
flat angles C4'-P-C4' energy: -139.562
flat angles P-C4'-P energy: -75.753
tors. eta vs tors. theta energy: -93.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1243.847421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.847421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.847421 (E_RNA)
where:
Base-Base interactions energy: -766.309
where: short stacking energy: -369.903
Base-Backbone interact. energy: -3.156
local terms energy: -474.382462
where:
bonds (distance) C4'-P energy: -109.596
bonds (distance) P-C4' energy: -112.109
flat angles C4'-P-C4' energy: -114.223
flat angles P-C4'-P energy: -70.319
tors. eta vs tors. theta energy: -68.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1000.457789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.457789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.457789 (E_RNA)
where:
Base-Base interactions energy: -535.313
where: short stacking energy: -286.854
Base-Backbone interact. energy: 2.095
local terms energy: -467.239393
where:
bonds (distance) C4'-P energy: -132.826
bonds (distance) P-C4' energy: -119.594
flat angles C4'-P-C4' energy: -111.405
flat angles P-C4'-P energy: -75.201
tors. eta vs tors. theta energy: -28.214
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: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -984.061629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.061629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.061629 (E_RNA)
where:
Base-Base interactions energy: -576.098
where: short stacking energy: -283.720
Base-Backbone interact. energy: 3.541
local terms energy: -411.504192
where:
bonds (distance) C4'-P energy: -104.940
bonds (distance) P-C4' energy: -123.850
flat angles C4'-P-C4' energy: -91.424
flat angles P-C4'-P energy: -60.601
tors. eta vs tors. theta energy: -30.689
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: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -823.668514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.668514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.668514 (E_RNA)
where:
Base-Base interactions energy: -446.702
where: short stacking energy: -246.937
Base-Backbone interact. energy: 4.749
local terms energy: -381.715112
where:
bonds (distance) C4'-P energy: -87.943
bonds (distance) P-C4' energy: -101.640
flat angles C4'-P-C4' energy: -121.420
flat angles P-C4'-P energy: -50.824
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2260.953698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.953698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.953698 (E_RNA)
where:
Base-Base interactions energy: -1547.493
where: short stacking energy: -675.861
Base-Backbone interact. energy: -1.637
local terms energy: -711.823435
where:
bonds (distance) C4'-P energy: -120.396
bonds (distance) P-C4' energy: -136.981
flat angles C4'-P-C4' energy: -154.569
flat angles P-C4'-P energy: -95.688
tors. eta vs tors. theta energy: -204.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2130.574690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.574690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.574690 (E_RNA)
where:
Base-Base interactions energy: -1446.136
where: short stacking energy: -595.985
Base-Backbone interact. energy: -3.229
local terms energy: -681.210180
where:
bonds (distance) C4'-P energy: -123.115
bonds (distance) P-C4' energy: -134.642
flat angles C4'-P-C4' energy: -155.608
flat angles P-C4'-P energy: -101.812
tors. eta vs tors. theta energy: -166.033
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: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2073.598029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.598029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.598029 (E_RNA)
where:
Base-Base interactions energy: -1405.484
where: short stacking energy: -607.596
Base-Backbone interact. energy: 3.386
local terms energy: -671.500526
where:
bonds (distance) C4'-P energy: -139.144
bonds (distance) P-C4' energy: -112.312
flat angles C4'-P-C4' energy: -140.336
flat angles P-C4'-P energy: -101.187
tors. eta vs tors. theta energy: -178.523
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: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1926.569701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.569701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.569701 (E_RNA)
where:
Base-Base interactions energy: -1295.424
where: short stacking energy: -577.662
Base-Backbone interact. energy: 1.487
local terms energy: -632.632594
where:
bonds (distance) C4'-P energy: -127.560
bonds (distance) P-C4' energy: -104.506
flat angles C4'-P-C4' energy: -153.063
flat angles P-C4'-P energy: -75.728
tors. eta vs tors. theta energy: -171.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1791.863078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.863078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.863078 (E_RNA)
where:
Base-Base interactions energy: -1185.875
where: short stacking energy: -530.717
Base-Backbone interact. energy: -2.251
local terms energy: -603.736934
where:
bonds (distance) C4'-P energy: -128.883
bonds (distance) P-C4' energy: -118.422
flat angles C4'-P-C4' energy: -124.877
flat angles P-C4'-P energy: -81.805
tors. eta vs tors. theta energy: -149.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1379.768448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.768448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.768448 (E_RNA)
where:
Base-Base interactions energy: -886.235
where: short stacking energy: -404.642
Base-Backbone interact. energy: -2.231
local terms energy: -491.302630
where:
bonds (distance) C4'-P energy: -123.675
bonds (distance) P-C4' energy: -119.238
flat angles C4'-P-C4' energy: -102.811
flat angles P-C4'-P energy: -72.256
tors. eta vs tors. theta energy: -73.323
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: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1278.623692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.623692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.623692 (E_RNA)
where:
Base-Base interactions energy: -808.058
where: short stacking energy: -383.393
Base-Backbone interact. energy: 0.364
local terms energy: -470.929604
where:
bonds (distance) C4'-P energy: -100.033
bonds (distance) P-C4' energy: -109.837
flat angles C4'-P-C4' energy: -123.485
flat angles P-C4'-P energy: -57.661
tors. eta vs tors. theta energy: -79.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1011.426632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.426632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.426632 (E_RNA)
where:
Base-Base interactions energy: -595.113
where: short stacking energy: -289.669
Base-Backbone interact. energy: -2.734
local terms energy: -413.579579
where:
bonds (distance) C4'-P energy: -93.008
bonds (distance) P-C4' energy: -117.800
flat angles C4'-P-C4' energy: -116.626
flat angles P-C4'-P energy: -57.385
tors. eta vs tors. theta energy: -28.760
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: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -978.910459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.910459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.910459 (E_RNA)
where:
Base-Base interactions energy: -520.023
where: short stacking energy: -265.288
Base-Backbone interact. energy: -0.647
local terms energy: -458.240767
where:
bonds (distance) C4'-P energy: -109.352
bonds (distance) P-C4' energy: -127.278
flat angles C4'-P-C4' energy: -109.161
flat angles P-C4'-P energy: -66.782
tors. eta vs tors. theta energy: -45.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -808.289081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.289081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.289081 (E_RNA)
where:
Base-Base interactions energy: -463.880
where: short stacking energy: -257.551
Base-Backbone interact. energy: -0.498
local terms energy: -343.911125
where:
bonds (distance) C4'-P energy: -98.544
bonds (distance) P-C4' energy: -114.289
flat angles C4'-P-C4' energy: -70.283
flat angles P-C4'-P energy: -39.519
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2237.838658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.838658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.838658 (E_RNA)
where:
Base-Base interactions energy: -1516.597
where: short stacking energy: -645.759
Base-Backbone interact. energy: -0.947
local terms energy: -720.295371
where:
bonds (distance) C4'-P energy: -129.581
bonds (distance) P-C4' energy: -141.397
flat angles C4'-P-C4' energy: -151.863
flat angles P-C4'-P energy: -96.071
tors. eta vs tors. theta energy: -201.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2146.528266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.528266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.528266 (E_RNA)
where:
Base-Base interactions energy: -1479.283
where: short stacking energy: -620.301
Base-Backbone interact. energy: -3.444
local terms energy: -663.801318
where:
bonds (distance) C4'-P energy: -123.073
bonds (distance) P-C4' energy: -128.932
flat angles C4'-P-C4' energy: -138.830
flat angles P-C4'-P energy: -99.417
tors. eta vs tors. theta energy: -173.549
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: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2059.551101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.551101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.551101 (E_RNA)
where:
Base-Base interactions energy: -1366.602
where: short stacking energy: -570.605
Base-Backbone interact. energy: -3.767
local terms energy: -689.182797
where:
bonds (distance) C4'-P energy: -135.321
bonds (distance) P-C4' energy: -130.401
flat angles C4'-P-C4' energy: -143.491
flat angles P-C4'-P energy: -97.584
tors. eta vs tors. theta energy: -182.385
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1941.754759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.754759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.754759 (E_RNA)
where:
Base-Base interactions energy: -1303.018
where: short stacking energy: -568.806
Base-Backbone interact. energy: -5.599
local terms energy: -633.138437
where:
bonds (distance) C4'-P energy: -123.998
bonds (distance) P-C4' energy: -125.862
flat angles C4'-P-C4' energy: -132.944
flat angles P-C4'-P energy: -86.994
tors. eta vs tors. theta energy: -163.340
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: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1754.564214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.564214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.564214 (E_RNA)
where:
Base-Base interactions energy: -1141.565
where: short stacking energy: -536.879
Base-Backbone interact. energy: 0.485
local terms energy: -613.483707
where:
bonds (distance) C4'-P energy: -116.793
bonds (distance) P-C4' energy: -132.071
flat angles C4'-P-C4' energy: -134.465
flat angles P-C4'-P energy: -89.205
tors. eta vs tors. theta energy: -140.949
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: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1405.126498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.126498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.126498 (E_RNA)
where:
Base-Base interactions energy: -894.417
where: short stacking energy: -426.299
Base-Backbone interact. energy: 6.026
local terms energy: -516.735440
where:
bonds (distance) C4'-P energy: -103.070
bonds (distance) P-C4' energy: -121.056
flat angles C4'-P-C4' energy: -130.222
flat angles P-C4'-P energy: -66.542
tors. eta vs tors. theta energy: -95.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1290.403975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.403975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.403975 (E_RNA)
where:
Base-Base interactions energy: -810.866
where: short stacking energy: -360.035
Base-Backbone interact. energy: 0.251
local terms energy: -479.788767
where:
bonds (distance) C4'-P energy: -111.114
bonds (distance) P-C4' energy: -112.835
flat angles C4'-P-C4' energy: -101.025
flat angles P-C4'-P energy: -86.061
tors. eta vs tors. theta energy: -68.755
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: 123
Temperature: 1.250000
Total energy: -1054.226271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.226271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.226271 (E_RNA)
where:
Base-Base interactions energy: -619.166
where: short stacking energy: -316.124
Base-Backbone interact. energy: -1.957
local terms energy: -433.103396
where:
bonds (distance) C4'-P energy: -90.629
bonds (distance) P-C4' energy: -119.894
flat angles C4'-P-C4' energy: -119.143
flat angles P-C4'-P energy: -52.899
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: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -993.702835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.702835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.702835 (E_RNA)
where:
Base-Base interactions energy: -604.045
where: short stacking energy: -288.925
Base-Backbone interact. energy: -4.265
local terms energy: -385.392658
where:
bonds (distance) C4'-P energy: -108.688
bonds (distance) P-C4' energy: -93.438
flat angles C4'-P-C4' energy: -107.849
flat angles P-C4'-P energy: -50.706
tors. eta vs tors. theta energy: -24.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -753.434346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.434346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.434346 (E_RNA)
where:
Base-Base interactions energy: -382.688
where: short stacking energy: -210.023
Base-Backbone interact. energy: 1.514
local terms energy: -372.260284
where:
bonds (distance) C4'-P energy: -102.386
bonds (distance) P-C4' energy: -112.736
flat angles C4'-P-C4' energy: -101.377
flat angles P-C4'-P energy: -55.138
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2252.709441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.709441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.709441 (E_RNA)
where:
Base-Base interactions energy: -1527.005
where: short stacking energy: -668.360
Base-Backbone interact. energy: -2.084
local terms energy: -723.620198
where:
bonds (distance) C4'-P energy: -135.693
bonds (distance) P-C4' energy: -122.462
flat angles C4'-P-C4' energy: -169.205
flat angles P-C4'-P energy: -92.991
tors. eta vs tors. theta energy: -203.270
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: 124
Temperature: 0.950000
Total energy: -2137.396411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.396411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.396411 (E_RNA)
where:
Base-Base interactions energy: -1452.540
where: short stacking energy: -610.482
Base-Backbone interact. energy: -3.194
local terms energy: -681.662053
where:
bonds (distance) C4'-P energy: -122.815
bonds (distance) P-C4' energy: -147.168
flat angles C4'-P-C4' energy: -134.059
flat angles P-C4'-P energy: -97.571
tors. eta vs tors. theta energy: -180.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2078.042431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.042431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.042431 (E_RNA)
where:
Base-Base interactions energy: -1417.150
where: short stacking energy: -622.150
Base-Backbone interact. energy: -2.458
local terms energy: -658.434189
where:
bonds (distance) C4'-P energy: -124.675
bonds (distance) P-C4' energy: -129.836
flat angles C4'-P-C4' energy: -131.221
flat angles P-C4'-P energy: -96.222
tors. eta vs tors. theta energy: -176.480
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: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1888.307668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.307668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.307668 (E_RNA)
where:
Base-Base interactions energy: -1260.170
where: short stacking energy: -553.103
Base-Backbone interact. energy: -2.347
local terms energy: -625.790776
where:
bonds (distance) C4'-P energy: -117.229
bonds (distance) P-C4' energy: -115.626
flat angles C4'-P-C4' energy: -141.845
flat angles P-C4'-P energy: -77.031
tors. eta vs tors. theta energy: -174.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1771.406700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.406700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.406700 (E_RNA)
where:
Base-Base interactions energy: -1179.155
where: short stacking energy: -526.536
Base-Backbone interact. energy: -2.403
local terms energy: -589.848491
where:
bonds (distance) C4'-P energy: -126.468
bonds (distance) P-C4' energy: -131.708
flat angles C4'-P-C4' energy: -116.000
flat angles P-C4'-P energy: -79.047
tors. eta vs tors. theta energy: -136.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1447.671344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.671344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.671344 (E_RNA)
where:
Base-Base interactions energy: -937.498
where: short stacking energy: -422.908
Base-Backbone interact. energy: -0.678
local terms energy: -509.495025
where:
bonds (distance) C4'-P energy: -117.041
bonds (distance) P-C4' energy: -106.341
flat angles C4'-P-C4' energy: -118.532
flat angles P-C4'-P energy: -74.583
tors. eta vs tors. theta energy: -92.998
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: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1238.954709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.954709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.954709 (E_RNA)
where:
Base-Base interactions energy: -780.536
where: short stacking energy: -364.921
Base-Backbone interact. energy: -2.149
local terms energy: -456.270125
where:
bonds (distance) C4'-P energy: -90.363
bonds (distance) P-C4' energy: -119.116
flat angles C4'-P-C4' energy: -118.844
flat angles P-C4'-P energy: -70.063
tors. eta vs tors. theta energy: -57.885
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: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1042.739613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.739613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.739613 (E_RNA)
where:
Base-Base interactions energy: -616.752
where: short stacking energy: -285.775
Base-Backbone interact. energy: -4.574
local terms energy: -421.413493
where:
bonds (distance) C4'-P energy: -118.588
bonds (distance) P-C4' energy: -110.533
flat angles C4'-P-C4' energy: -112.919
flat angles P-C4'-P energy: -50.601
tors. eta vs tors. theta energy: -28.773
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: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -992.760435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.760435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.760435 (E_RNA)
where:
Base-Base interactions energy: -567.110
where: short stacking energy: -280.195
Base-Backbone interact. energy: 4.375
local terms energy: -430.024933
where:
bonds (distance) C4'-P energy: -121.975
bonds (distance) P-C4' energy: -104.863
flat angles C4'-P-C4' energy: -110.427
flat angles P-C4'-P energy: -59.928
tors. eta vs tors. theta energy: -32.832
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: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -721.258422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.258422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.258422 (E_RNA)
where:
Base-Base interactions energy: -367.897
where: short stacking energy: -201.033
Base-Backbone interact. energy: -3.518
local terms energy: -349.843722
where:
bonds (distance) C4'-P energy: -102.400
bonds (distance) P-C4' energy: -94.126
flat angles C4'-P-C4' energy: -105.605
flat angles P-C4'-P energy: -53.955
tors. eta vs tors. theta energy: 6.243
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: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2234.220159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.220159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.220159 (E_RNA)
where:
Base-Base interactions energy: -1537.144
where: short stacking energy: -690.142
Base-Backbone interact. energy: -2.838
local terms energy: -694.238630
where:
bonds (distance) C4'-P energy: -113.514
bonds (distance) P-C4' energy: -132.045
flat angles C4'-P-C4' energy: -151.392
flat angles P-C4'-P energy: -88.187
tors. eta vs tors. theta energy: -209.101
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: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2135.211006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.211006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.211006 (E_RNA)
where:
Base-Base interactions energy: -1462.550
where: short stacking energy: -635.013
Base-Backbone interact. energy: -2.013
local terms energy: -670.648245
where:
bonds (distance) C4'-P energy: -131.388
bonds (distance) P-C4' energy: -129.730
flat angles C4'-P-C4' energy: -142.795
flat angles P-C4'-P energy: -92.109
tors. eta vs tors. theta energy: -174.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2055.522500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.522500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.522500 (E_RNA)
where:
Base-Base interactions energy: -1381.577
where: short stacking energy: -617.534
Base-Backbone interact. energy: -3.590
local terms energy: -670.355590
where:
bonds (distance) C4'-P energy: -140.506
bonds (distance) P-C4' energy: -117.941
flat angles C4'-P-C4' energy: -137.956
flat angles P-C4'-P energy: -93.592
tors. eta vs tors. theta energy: -180.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1900.908254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.908254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.908254 (E_RNA)
where:
Base-Base interactions energy: -1248.737
where: short stacking energy: -553.925
Base-Backbone interact. energy: 2.371
local terms energy: -654.542410
where:
bonds (distance) C4'-P energy: -137.803
bonds (distance) P-C4' energy: -115.895
flat angles C4'-P-C4' energy: -133.178
flat angles P-C4'-P energy: -104.875
tors. eta vs tors. theta energy: -162.791
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: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1789.937572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.937572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.937572 (E_RNA)
where:
Base-Base interactions energy: -1190.767
where: short stacking energy: -540.824
Base-Backbone interact. energy: 2.196
local terms energy: -601.367036
where:
bonds (distance) C4'-P energy: -135.069
bonds (distance) P-C4' energy: -122.759
flat angles C4'-P-C4' energy: -125.344
flat angles P-C4'-P energy: -74.324
tors. eta vs tors. theta energy: -143.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1409.986573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.986573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.986573 (E_RNA)
where:
Base-Base interactions energy: -886.841
where: short stacking energy: -432.004
Base-Backbone interact. energy: -0.118
local terms energy: -523.027983
where:
bonds (distance) C4'-P energy: -124.201
bonds (distance) P-C4' energy: -120.009
flat angles C4'-P-C4' energy: -119.279
flat angles P-C4'-P energy: -60.846
tors. eta vs tors. theta energy: -98.693
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: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1185.733664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.733664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.733664 (E_RNA)
where:
Base-Base interactions energy: -726.980
where: short stacking energy: -334.712
Base-Backbone interact. energy: 3.482
local terms energy: -462.235200
where:
bonds (distance) C4'-P energy: -111.141
bonds (distance) P-C4' energy: -115.357
flat angles C4'-P-C4' energy: -114.207
flat angles P-C4'-P energy: -60.875
tors. eta vs tors. theta energy: -60.655
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: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1104.763411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.763411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.763411 (E_RNA)
where:
Base-Base interactions energy: -651.169
where: short stacking energy: -350.884
Base-Backbone interact. energy: 0.947
local terms energy: -454.541770
where:
bonds (distance) C4'-P energy: -103.833
bonds (distance) P-C4' energy: -110.819
flat angles C4'-P-C4' energy: -115.564
flat angles P-C4'-P energy: -57.110
tors. eta vs tors. theta energy: -67.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -978.196007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.196007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.196007 (E_RNA)
where:
Base-Base interactions energy: -557.304
where: short stacking energy: -270.211
Base-Backbone interact. energy: -4.332
local terms energy: -416.559986
where:
bonds (distance) C4'-P energy: -101.456
bonds (distance) P-C4' energy: -122.011
flat angles C4'-P-C4' energy: -106.340
flat angles P-C4'-P energy: -65.932
tors. eta vs tors. theta energy: -20.820
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: 125
Temperature: 1.350000
Total energy: -705.078071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.078071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.078071 (E_RNA)
where:
Base-Base interactions energy: -333.148
where: short stacking energy: -197.959
Base-Backbone interact. energy: -1.585
local terms energy: -370.345332
where:
bonds (distance) C4'-P energy: -109.673
bonds (distance) P-C4' energy: -117.400
flat angles C4'-P-C4' energy: -105.121
flat angles P-C4'-P energy: -47.513
tors. eta vs tors. theta energy: 9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2206.141045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.141045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.141045 (E_RNA)
where:
Base-Base interactions energy: -1499.939
where: short stacking energy: -670.916
Base-Backbone interact. energy: 5.047
local terms energy: -711.249115
where:
bonds (distance) C4'-P energy: -117.415
bonds (distance) P-C4' energy: -134.946
flat angles C4'-P-C4' energy: -152.724
flat angles P-C4'-P energy: -100.202
tors. eta vs tors. theta energy: -205.962
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: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2113.492308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.492308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.492308 (E_RNA)
where:
Base-Base interactions energy: -1446.101
where: short stacking energy: -621.044
Base-Backbone interact. energy: -1.100
local terms energy: -666.291159
where:
bonds (distance) C4'-P energy: -127.251
bonds (distance) P-C4' energy: -128.282
flat angles C4'-P-C4' energy: -135.060
flat angles P-C4'-P energy: -97.048
tors. eta vs tors. theta energy: -178.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2078.843956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.843956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.843956 (E_RNA)
where:
Base-Base interactions energy: -1405.748
where: short stacking energy: -612.867
Base-Backbone interact. energy: -2.042
local terms energy: -671.053887
where:
bonds (distance) C4'-P energy: -136.304
bonds (distance) P-C4' energy: -118.274
flat angles C4'-P-C4' energy: -142.887
flat angles P-C4'-P energy: -97.331
tors. eta vs tors. theta energy: -176.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1857.149297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.149297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.149297 (E_RNA)
where:
Base-Base interactions energy: -1239.293
where: short stacking energy: -540.010
Base-Backbone interact. energy: 1.721
local terms energy: -619.576888
where:
bonds (distance) C4'-P energy: -116.634
bonds (distance) P-C4' energy: -126.050
flat angles C4'-P-C4' energy: -133.326
flat angles P-C4'-P energy: -87.072
tors. eta vs tors. theta energy: -156.494
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: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1793.623063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.623063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.623063 (E_RNA)
where:
Base-Base interactions energy: -1182.840
where: short stacking energy: -521.026
Base-Backbone interact. energy: -1.435
local terms energy: -609.347969
where:
bonds (distance) C4'-P energy: -105.512
bonds (distance) P-C4' energy: -126.691
flat angles C4'-P-C4' energy: -135.219
flat angles P-C4'-P energy: -91.353
tors. eta vs tors. theta energy: -150.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1509.848169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.848169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.848169 (E_RNA)
where:
Base-Base interactions energy: -968.382
where: short stacking energy: -423.439
Base-Backbone interact. energy: 0.029
local terms energy: -541.494968
where:
bonds (distance) C4'-P energy: -118.777
bonds (distance) P-C4' energy: -112.285
flat angles C4'-P-C4' energy: -130.527
flat angles P-C4'-P energy: -82.581
tors. eta vs tors. theta energy: -97.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1204.375183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.375183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.375183 (E_RNA)
where:
Base-Base interactions energy: -730.637
where: short stacking energy: -375.495
Base-Backbone interact. energy: -1.639
local terms energy: -472.099182
where:
bonds (distance) C4'-P energy: -129.299
bonds (distance) P-C4' energy: -98.431
flat angles C4'-P-C4' energy: -113.230
flat angles P-C4'-P energy: -69.289
tors. eta vs tors. theta energy: -61.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1098.061882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.061882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.061882 (E_RNA)
where:
Base-Base interactions energy: -652.282
where: short stacking energy: -335.621
Base-Backbone interact. energy: 0.831
local terms energy: -446.611028
where:
bonds (distance) C4'-P energy: -114.214
bonds (distance) P-C4' energy: -108.093
flat angles C4'-P-C4' energy: -102.508
flat angles P-C4'-P energy: -57.571
tors. eta vs tors. theta energy: -64.226
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: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -979.482449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.482449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.482449 (E_RNA)
where:
Base-Base interactions energy: -555.384
where: short stacking energy: -269.768
Base-Backbone interact. energy: 3.002
local terms energy: -427.100431
where:
bonds (distance) C4'-P energy: -105.794
bonds (distance) P-C4' energy: -112.673
flat angles C4'-P-C4' energy: -107.904
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -30.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -722.841395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.841395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.841395 (E_RNA)
where:
Base-Base interactions energy: -376.040
where: short stacking energy: -213.875
Base-Backbone interact. energy: -3.561
local terms energy: -343.240560
where:
bonds (distance) C4'-P energy: -106.472
bonds (distance) P-C4' energy: -102.004
flat angles C4'-P-C4' energy: -94.454
flat angles P-C4'-P energy: -52.199
tors. eta vs tors. theta energy: 11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2245.534669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.534669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.534669 (E_RNA)
where:
Base-Base interactions energy: -1515.907
where: short stacking energy: -660.720
Base-Backbone interact. energy: 1.677
local terms energy: -731.305055
where:
bonds (distance) C4'-P energy: -141.168
bonds (distance) P-C4' energy: -140.304
flat angles C4'-P-C4' energy: -162.713
flat angles P-C4'-P energy: -101.969
tors. eta vs tors. theta energy: -185.151
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: 127
Temperature: 0.950000
Total energy: -2113.531862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.531862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.531862 (E_RNA)
where:
Base-Base interactions energy: -1454.725
where: short stacking energy: -596.787
Base-Backbone interact. energy: 1.278
local terms energy: -660.084783
where:
bonds (distance) C4'-P energy: -129.644
bonds (distance) P-C4' energy: -136.307
flat angles C4'-P-C4' energy: -132.333
flat angles P-C4'-P energy: -95.417
tors. eta vs tors. theta energy: -166.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2074.942750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.942750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.942750 (E_RNA)
where:
Base-Base interactions energy: -1421.982
where: short stacking energy: -599.099
Base-Backbone interact. energy: -0.006
local terms energy: -652.955072
where:
bonds (distance) C4'-P energy: -123.055
bonds (distance) P-C4' energy: -121.458
flat angles C4'-P-C4' energy: -149.687
flat angles P-C4'-P energy: -93.766
tors. eta vs tors. theta energy: -164.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1883.758064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.758064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.758064 (E_RNA)
where:
Base-Base interactions energy: -1261.256
where: short stacking energy: -559.286
Base-Backbone interact. energy: 9.310
local terms energy: -631.811684
where:
bonds (distance) C4'-P energy: -127.003
bonds (distance) P-C4' energy: -120.198
flat angles C4'-P-C4' energy: -133.899
flat angles P-C4'-P energy: -83.197
tors. eta vs tors. theta energy: -167.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1819.485547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.485547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.485547 (E_RNA)
where:
Base-Base interactions energy: -1182.146
where: short stacking energy: -543.923
Base-Backbone interact. energy: -2.841
local terms energy: -634.498714
where:
bonds (distance) C4'-P energy: -126.716
bonds (distance) P-C4' energy: -140.357
flat angles C4'-P-C4' energy: -134.720
flat angles P-C4'-P energy: -82.501
tors. eta vs tors. theta energy: -150.205
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: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1505.957182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.957182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.957182 (E_RNA)
where:
Base-Base interactions energy: -975.086
where: short stacking energy: -443.763
Base-Backbone interact. energy: -1.623
local terms energy: -529.247963
where:
bonds (distance) C4'-P energy: -98.916
bonds (distance) P-C4' energy: -114.728
flat angles C4'-P-C4' energy: -134.792
flat angles P-C4'-P energy: -74.326
tors. eta vs tors. theta energy: -106.487
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: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1218.738052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.738052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.738052 (E_RNA)
where:
Base-Base interactions energy: -758.183
where: short stacking energy: -374.070
Base-Backbone interact. energy: 0.296
local terms energy: -460.851251
where:
bonds (distance) C4'-P energy: -115.479
bonds (distance) P-C4' energy: -112.202
flat angles C4'-P-C4' energy: -111.079
flat angles P-C4'-P energy: -64.366
tors. eta vs tors. theta energy: -57.725
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: 127
Temperature: 1.250000
Total energy: -1186.966747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.966747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.966747 (E_RNA)
where:
Base-Base interactions energy: -715.447
where: short stacking energy: -338.192
Base-Backbone interact. energy: -4.109
local terms energy: -467.411106
where:
bonds (distance) C4'-P energy: -106.078
bonds (distance) P-C4' energy: -126.647
flat angles C4'-P-C4' energy: -129.398
flat angles P-C4'-P energy: -57.122
tors. eta vs tors. theta energy: -48.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -980.797870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.797870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.797870 (E_RNA)
where:
Base-Base interactions energy: -587.741
where: short stacking energy: -285.630
Base-Backbone interact. energy: 0.044
local terms energy: -393.100566
where:
bonds (distance) C4'-P energy: -102.639
bonds (distance) P-C4' energy: -113.222
flat angles C4'-P-C4' energy: -94.966
flat angles P-C4'-P energy: -52.538
tors. eta vs tors. theta energy: -29.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -724.683571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.683571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.683571 (E_RNA)
where:
Base-Base interactions energy: -378.404
where: short stacking energy: -216.589
Base-Backbone interact. energy: 3.554
local terms energy: -349.834289
where:
bonds (distance) C4'-P energy: -93.446
bonds (distance) P-C4' energy: -116.231
flat angles C4'-P-C4' energy: -84.372
flat angles P-C4'-P energy: -45.176
tors. eta vs tors. theta energy: -10.609
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: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2224.923437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.923437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.923437 (E_RNA)
where:
Base-Base interactions energy: -1511.988
where: short stacking energy: -693.390
Base-Backbone interact. energy: -2.651
local terms energy: -710.284452
where:
bonds (distance) C4'-P energy: -133.063
bonds (distance) P-C4' energy: -135.297
flat angles C4'-P-C4' energy: -147.300
flat angles P-C4'-P energy: -98.345
tors. eta vs tors. theta energy: -196.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2145.912484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.912484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.912484 (E_RNA)
where:
Base-Base interactions energy: -1471.688
where: short stacking energy: -623.565
Base-Backbone interact. energy: -2.733
local terms energy: -671.490666
where:
bonds (distance) C4'-P energy: -118.387
bonds (distance) P-C4' energy: -139.497
flat angles C4'-P-C4' energy: -140.732
flat angles P-C4'-P energy: -99.018
tors. eta vs tors. theta energy: -173.857
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: 128
Temperature: 1.000000
Total energy: -2060.286296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.286296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.286296 (E_RNA)
where:
Base-Base interactions energy: -1411.643
where: short stacking energy: -590.766
Base-Backbone interact. energy: -4.392
local terms energy: -644.251167
where:
bonds (distance) C4'-P energy: -131.323
bonds (distance) P-C4' energy: -117.658
flat angles C4'-P-C4' energy: -132.770
flat angles P-C4'-P energy: -96.292
tors. eta vs tors. theta energy: -166.209
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: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1872.301084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.301084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.301084 (E_RNA)
where:
Base-Base interactions energy: -1252.881
where: short stacking energy: -537.538
Base-Backbone interact. energy: -1.175
local terms energy: -618.245410
where:
bonds (distance) C4'-P energy: -108.797
bonds (distance) P-C4' energy: -135.612
flat angles C4'-P-C4' energy: -130.791
flat angles P-C4'-P energy: -90.951
tors. eta vs tors. theta energy: -152.094
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: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1788.019075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.019075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.019075 (E_RNA)
where:
Base-Base interactions energy: -1186.047
where: short stacking energy: -523.844
Base-Backbone interact. energy: 1.765
local terms energy: -603.737369
where:
bonds (distance) C4'-P energy: -114.160
bonds (distance) P-C4' energy: -117.432
flat angles C4'-P-C4' energy: -131.128
flat angles P-C4'-P energy: -81.009
tors. eta vs tors. theta energy: -160.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1547.063920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.063920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.063920 (E_RNA)
where:
Base-Base interactions energy: -981.616
where: short stacking energy: -463.009
Base-Backbone interact. energy: -2.499
local terms energy: -562.948617
where:
bonds (distance) C4'-P energy: -104.975
bonds (distance) P-C4' energy: -133.450
flat angles C4'-P-C4' energy: -123.007
flat angles P-C4'-P energy: -84.523
tors. eta vs tors. theta energy: -116.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1198.258037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.258037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.258037 (E_RNA)
where:
Base-Base interactions energy: -696.071
where: short stacking energy: -345.800
Base-Backbone interact. energy: -2.192
local terms energy: -499.995280
where:
bonds (distance) C4'-P energy: -111.312
bonds (distance) P-C4' energy: -127.129
flat angles C4'-P-C4' energy: -118.942
flat angles P-C4'-P energy: -69.225
tors. eta vs tors. theta energy: -73.387
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: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1200.468274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.468274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.468274 (E_RNA)
where:
Base-Base interactions energy: -754.347
where: short stacking energy: -352.665
Base-Backbone interact. energy: -2.843
local terms energy: -443.278232
where:
bonds (distance) C4'-P energy: -98.904
bonds (distance) P-C4' energy: -109.110
flat angles C4'-P-C4' energy: -100.028
flat angles P-C4'-P energy: -65.848
tors. eta vs tors. theta energy: -69.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -974.441676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.441676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.441676 (E_RNA)
where:
Base-Base interactions energy: -584.136
where: short stacking energy: -283.117
Base-Backbone interact. energy: -0.950
local terms energy: -389.355579
where:
bonds (distance) C4'-P energy: -121.051
bonds (distance) P-C4' energy: -91.843
flat angles C4'-P-C4' energy: -102.540
flat angles P-C4'-P energy: -44.014
tors. eta vs tors. theta energy: -29.908
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: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -783.789729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.789729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.789729 (E_RNA)
where:
Base-Base interactions energy: -423.478
where: short stacking energy: -212.871
Base-Backbone interact. energy: -1.080
local terms energy: -359.231419
where:
bonds (distance) C4'-P energy: -104.664
bonds (distance) P-C4' energy: -108.904
flat angles C4'-P-C4' energy: -76.890
flat angles P-C4'-P energy: -55.576
tors. eta vs tors. theta energy: -13.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2260.567499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.567499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.567499 (E_RNA)
where:
Base-Base interactions energy: -1531.863
where: short stacking energy: -706.850
Base-Backbone interact. energy: -2.066
local terms energy: -726.637934
where:
bonds (distance) C4'-P energy: -118.556
bonds (distance) P-C4' energy: -142.295
flat angles C4'-P-C4' energy: -158.117
flat angles P-C4'-P energy: -100.712
tors. eta vs tors. theta energy: -206.958
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: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2186.489948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.489948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.489948 (E_RNA)
where:
Base-Base interactions energy: -1487.408
where: short stacking energy: -636.826
Base-Backbone interact. energy: -7.186
local terms energy: -691.895806
where:
bonds (distance) C4'-P energy: -123.475
bonds (distance) P-C4' energy: -140.156
flat angles C4'-P-C4' energy: -141.892
flat angles P-C4'-P energy: -98.390
tors. eta vs tors. theta energy: -187.983
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: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2057.990247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.990247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.990247 (E_RNA)
where:
Base-Base interactions energy: -1437.083
where: short stacking energy: -599.606
Base-Backbone interact. energy: -1.261
local terms energy: -619.646364
where:
bonds (distance) C4'-P energy: -107.175
bonds (distance) P-C4' energy: -138.948
flat angles C4'-P-C4' energy: -137.279
flat angles P-C4'-P energy: -80.581
tors. eta vs tors. theta energy: -155.664
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: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1902.363201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.363201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.363201 (E_RNA)
where:
Base-Base interactions energy: -1303.922
where: short stacking energy: -558.253
Base-Backbone interact. energy: 3.626
local terms energy: -602.067437
where:
bonds (distance) C4'-P energy: -104.189
bonds (distance) P-C4' energy: -119.999
flat angles C4'-P-C4' energy: -125.988
flat angles P-C4'-P energy: -96.258
tors. eta vs tors. theta energy: -155.633
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: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1803.460760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.460760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.460760 (E_RNA)
where:
Base-Base interactions energy: -1226.941
where: short stacking energy: -535.551
Base-Backbone interact. energy: 2.121
local terms energy: -578.641097
where:
bonds (distance) C4'-P energy: -121.727
bonds (distance) P-C4' energy: -117.659
flat angles C4'-P-C4' energy: -122.048
flat angles P-C4'-P energy: -73.280
tors. eta vs tors. theta energy: -143.927
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: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1539.253436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.253436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.253436 (E_RNA)
where:
Base-Base interactions energy: -984.862
where: short stacking energy: -472.196
Base-Backbone interact. energy: -2.598
local terms energy: -551.792784
where:
bonds (distance) C4'-P energy: -110.365
bonds (distance) P-C4' energy: -129.286
flat angles C4'-P-C4' energy: -143.546
flat angles P-C4'-P energy: -70.870
tors. eta vs tors. theta energy: -97.726
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: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1211.950171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.950171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.950171 (E_RNA)
where:
Base-Base interactions energy: -716.726
where: short stacking energy: -357.812
Base-Backbone interact. energy: -2.569
local terms energy: -492.655249
where:
bonds (distance) C4'-P energy: -113.623
bonds (distance) P-C4' energy: -132.530
flat angles C4'-P-C4' energy: -108.661
flat angles P-C4'-P energy: -84.486
tors. eta vs tors. theta energy: -53.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1164.648701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.648701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.648701 (E_RNA)
where:
Base-Base interactions energy: -707.117
where: short stacking energy: -347.089
Base-Backbone interact. energy: 3.151
local terms energy: -460.682133
where:
bonds (distance) C4'-P energy: -106.786
bonds (distance) P-C4' energy: -121.327
flat angles C4'-P-C4' energy: -104.550
flat angles P-C4'-P energy: -66.393
tors. eta vs tors. theta energy: -61.626
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: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -978.677398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.677398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.677398 (E_RNA)
where:
Base-Base interactions energy: -572.774
where: short stacking energy: -281.789
Base-Backbone interact. energy: 0.781
local terms energy: -406.684258
where:
bonds (distance) C4'-P energy: -105.046
bonds (distance) P-C4' energy: -103.248
flat angles C4'-P-C4' energy: -101.696
flat angles P-C4'-P energy: -67.125
tors. eta vs tors. theta energy: -29.570
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: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -800.586400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.586400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.586400 (E_RNA)
where:
Base-Base interactions energy: -434.015
where: short stacking energy: -236.768
Base-Backbone interact. energy: -0.494
local terms energy: -366.077110
where:
bonds (distance) C4'-P energy: -100.218
bonds (distance) P-C4' energy: -117.483
flat angles C4'-P-C4' energy: -89.526
flat angles P-C4'-P energy: -59.108
tors. eta vs tors. theta energy: 0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2247.454803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.454803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.454803 (E_RNA)
where:
Base-Base interactions energy: -1520.780
where: short stacking energy: -693.109
Base-Backbone interact. energy: -1.135
local terms energy: -725.539011
where:
bonds (distance) C4'-P energy: -137.926
bonds (distance) P-C4' energy: -130.724
flat angles C4'-P-C4' energy: -152.985
flat angles P-C4'-P energy: -105.074
tors. eta vs tors. theta energy: -198.830
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: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2144.620303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.620303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.620303 (E_RNA)
where:
Base-Base interactions energy: -1437.691
where: short stacking energy: -644.650
Base-Backbone interact. energy: 0.923
local terms energy: -707.851963
where:
bonds (distance) C4'-P energy: -140.943
bonds (distance) P-C4' energy: -127.766
flat angles C4'-P-C4' energy: -145.336
flat angles P-C4'-P energy: -102.964
tors. eta vs tors. theta energy: -190.843
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: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2015.095332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.095332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.095332 (E_RNA)
where:
Base-Base interactions energy: -1367.302
where: short stacking energy: -561.268
Base-Backbone interact. energy: -4.288
local terms energy: -643.505466
where:
bonds (distance) C4'-P energy: -130.004
bonds (distance) P-C4' energy: -127.208
flat angles C4'-P-C4' energy: -137.274
flat angles P-C4'-P energy: -95.928
tors. eta vs tors. theta energy: -153.092
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: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1889.078498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.078498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.078498 (E_RNA)
where:
Base-Base interactions energy: -1264.255
where: short stacking energy: -549.593
Base-Backbone interact. energy: -1.942
local terms energy: -622.881139
where:
bonds (distance) C4'-P energy: -109.085
bonds (distance) P-C4' energy: -121.378
flat angles C4'-P-C4' energy: -135.281
flat angles P-C4'-P energy: -96.038
tors. eta vs tors. theta energy: -161.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1801.332269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.332269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.332269 (E_RNA)
where:
Base-Base interactions energy: -1193.401
where: short stacking energy: -530.644
Base-Backbone interact. energy: -2.553
local terms energy: -605.377859
where:
bonds (distance) C4'-P energy: -122.628
bonds (distance) P-C4' energy: -111.600
flat angles C4'-P-C4' energy: -142.211
flat angles P-C4'-P energy: -84.278
tors. eta vs tors. theta energy: -144.661
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: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1500.073816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.073816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.073816 (E_RNA)
where:
Base-Base interactions energy: -960.451
where: short stacking energy: -436.342
Base-Backbone interact. energy: -0.213
local terms energy: -539.410174
where:
bonds (distance) C4'-P energy: -125.615
bonds (distance) P-C4' energy: -109.939
flat angles C4'-P-C4' energy: -135.939
flat angles P-C4'-P energy: -80.690
tors. eta vs tors. theta energy: -87.227
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: 130
Temperature: 1.200000
Total energy: -1251.575663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.575663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.575663 (E_RNA)
where:
Base-Base interactions energy: -781.874
where: short stacking energy: -390.889
Base-Backbone interact. energy: -1.860
local terms energy: -467.841570
where:
bonds (distance) C4'-P energy: -113.859
bonds (distance) P-C4' energy: -98.319
flat angles C4'-P-C4' energy: -103.129
flat angles P-C4'-P energy: -72.089
tors. eta vs tors. theta energy: -80.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1122.173848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.173848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.173848 (E_RNA)
where:
Base-Base interactions energy: -688.267
where: short stacking energy: -295.851
Base-Backbone interact. energy: -3.264
local terms energy: -430.643815
where:
bonds (distance) C4'-P energy: -101.743
bonds (distance) P-C4' energy: -107.001
flat angles C4'-P-C4' energy: -109.318
flat angles P-C4'-P energy: -62.445
tors. eta vs tors. theta energy: -50.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -962.005688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.005688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.005688 (E_RNA)
where:
Base-Base interactions energy: -553.725
where: short stacking energy: -260.890
Base-Backbone interact. energy: -0.937
local terms energy: -407.343261
where:
bonds (distance) C4'-P energy: -98.288
bonds (distance) P-C4' energy: -110.554
flat angles C4'-P-C4' energy: -105.900
flat angles P-C4'-P energy: -57.836
tors. eta vs tors. theta energy: -34.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -799.699211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.699211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.699211 (E_RNA)
where:
Base-Base interactions energy: -415.490
where: short stacking energy: -215.649
Base-Backbone interact. energy: -2.004
local terms energy: -382.205754
where:
bonds (distance) C4'-P energy: -99.838
bonds (distance) P-C4' energy: -125.224
flat angles C4'-P-C4' energy: -114.572
flat angles P-C4'-P energy: -51.344
tors. eta vs tors. theta energy: 8.773
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: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2239.494969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.494969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.494969 (E_RNA)
where:
Base-Base interactions energy: -1547.381
where: short stacking energy: -698.373
Base-Backbone interact. energy: 3.820
local terms energy: -695.934251
where:
bonds (distance) C4'-P energy: -133.384
bonds (distance) P-C4' energy: -135.845
flat angles C4'-P-C4' energy: -150.877
flat angles P-C4'-P energy: -89.290
tors. eta vs tors. theta energy: -186.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2129.517318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.517318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.517318 (E_RNA)
where:
Base-Base interactions energy: -1446.973
where: short stacking energy: -634.171
Base-Backbone interact. energy: -0.344
local terms energy: -682.200466
where:
bonds (distance) C4'-P energy: -124.094
bonds (distance) P-C4' energy: -134.538
flat angles C4'-P-C4' energy: -137.223
flat angles P-C4'-P energy: -107.088
tors. eta vs tors. theta energy: -179.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2096.102124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.102124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.102124 (E_RNA)
where:
Base-Base interactions energy: -1453.560
where: short stacking energy: -606.387
Base-Backbone interact. energy: -2.392
local terms energy: -640.150168
where:
bonds (distance) C4'-P energy: -115.334
bonds (distance) P-C4' energy: -125.997
flat angles C4'-P-C4' energy: -136.252
flat angles P-C4'-P energy: -96.892
tors. eta vs tors. theta energy: -165.676
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1867.029871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.029871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.029871 (E_RNA)
where:
Base-Base interactions energy: -1231.888
where: short stacking energy: -542.408
Base-Backbone interact. energy: -2.432
local terms energy: -632.709985
where:
bonds (distance) C4'-P energy: -129.244
bonds (distance) P-C4' energy: -113.968
flat angles C4'-P-C4' energy: -145.494
flat angles P-C4'-P energy: -83.636
tors. eta vs tors. theta energy: -160.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1817.871659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.871659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.871659 (E_RNA)
where:
Base-Base interactions energy: -1224.322
where: short stacking energy: -552.359
Base-Backbone interact. energy: 1.322
local terms energy: -594.872251
where:
bonds (distance) C4'-P energy: -117.627
bonds (distance) P-C4' energy: -113.504
flat angles C4'-P-C4' energy: -126.548
flat angles P-C4'-P energy: -81.178
tors. eta vs tors. theta energy: -156.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1500.203664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.203664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.203664 (E_RNA)
where:
Base-Base interactions energy: -950.534
where: short stacking energy: -439.503
Base-Backbone interact. energy: 0.604
local terms energy: -550.274147
where:
bonds (distance) C4'-P energy: -120.708
bonds (distance) P-C4' energy: -106.709
flat angles C4'-P-C4' energy: -133.522
flat angles P-C4'-P energy: -82.552
tors. eta vs tors. theta energy: -106.783
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: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1285.619852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.619852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.619852 (E_RNA)
where:
Base-Base interactions energy: -833.870
where: short stacking energy: -398.901
Base-Backbone interact. energy: 1.728
local terms energy: -453.476882
where:
bonds (distance) C4'-P energy: -93.490
bonds (distance) P-C4' energy: -112.151
flat angles C4'-P-C4' energy: -109.611
flat angles P-C4'-P energy: -62.243
tors. eta vs tors. theta energy: -75.982
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: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1040.878948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.878948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.878948 (E_RNA)
where:
Base-Base interactions energy: -611.335
where: short stacking energy: -295.005
Base-Backbone interact. energy: 1.176
local terms energy: -430.719777
where:
bonds (distance) C4'-P energy: -106.544
bonds (distance) P-C4' energy: -119.997
flat angles C4'-P-C4' energy: -104.365
flat angles P-C4'-P energy: -52.581
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: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1049.244205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.244205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.244205 (E_RNA)
where:
Base-Base interactions energy: -636.147
where: short stacking energy: -286.929
Base-Backbone interact. energy: -2.549
local terms energy: -410.548222
where:
bonds (distance) C4'-P energy: -90.381
bonds (distance) P-C4' energy: -106.142
flat angles C4'-P-C4' energy: -101.184
flat angles P-C4'-P energy: -77.748
tors. eta vs tors. theta energy: -35.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -759.615767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.615767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.615767 (E_RNA)
where:
Base-Base interactions energy: -398.841
where: short stacking energy: -197.187
Base-Backbone interact. energy: -0.334
local terms energy: -360.440289
where:
bonds (distance) C4'-P energy: -103.989
bonds (distance) P-C4' energy: -121.771
flat angles C4'-P-C4' energy: -94.428
flat angles P-C4'-P energy: -54.215
tors. eta vs tors. theta energy: 13.963
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: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2233.180884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.180884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.180884 (E_RNA)
where:
Base-Base interactions energy: -1532.616
where: short stacking energy: -688.200
Base-Backbone interact. energy: -2.027
local terms energy: -698.537851
where:
bonds (distance) C4'-P energy: -120.258
bonds (distance) P-C4' energy: -130.410
flat angles C4'-P-C4' energy: -160.308
flat angles P-C4'-P energy: -94.129
tors. eta vs tors. theta energy: -193.434
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: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2168.499444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.499444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.499444 (E_RNA)
where:
Base-Base interactions energy: -1469.869
where: short stacking energy: -649.358
Base-Backbone interact. energy: -1.327
local terms energy: -697.303007
where:
bonds (distance) C4'-P energy: -127.245
bonds (distance) P-C4' energy: -127.132
flat angles C4'-P-C4' energy: -153.009
flat angles P-C4'-P energy: -102.480
tors. eta vs tors. theta energy: -187.437
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: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2093.788624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.788624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.788624 (E_RNA)
where:
Base-Base interactions energy: -1414.208
where: short stacking energy: -605.558
Base-Backbone interact. energy: -3.372
local terms energy: -676.208181
where:
bonds (distance) C4'-P energy: -135.593
bonds (distance) P-C4' energy: -115.769
flat angles C4'-P-C4' energy: -152.007
flat angles P-C4'-P energy: -103.198
tors. eta vs tors. theta energy: -169.641
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: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1933.079300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.079300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.079300 (E_RNA)
where:
Base-Base interactions energy: -1298.248
where: short stacking energy: -567.220
Base-Backbone interact. energy: -0.589
local terms energy: -634.242326
where:
bonds (distance) C4'-P energy: -115.255
bonds (distance) P-C4' energy: -129.582
flat angles C4'-P-C4' energy: -141.933
flat angles P-C4'-P energy: -80.574
tors. eta vs tors. theta energy: -166.899
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: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1815.288805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.288805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.288805 (E_RNA)
where:
Base-Base interactions energy: -1230.174
where: short stacking energy: -543.748
Base-Backbone interact. energy: 1.532
local terms energy: -586.646731
where:
bonds (distance) C4'-P energy: -117.517
bonds (distance) P-C4' energy: -113.160
flat angles C4'-P-C4' energy: -142.582
flat angles P-C4'-P energy: -68.830
tors. eta vs tors. theta energy: -144.557
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: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1500.943362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.943362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.943362 (E_RNA)
where:
Base-Base interactions energy: -962.802
where: short stacking energy: -425.566
Base-Backbone interact. energy: -0.803
local terms energy: -537.338377
where:
bonds (distance) C4'-P energy: -104.499
bonds (distance) P-C4' energy: -128.292
flat angles C4'-P-C4' energy: -127.428
flat angles P-C4'-P energy: -79.818
tors. eta vs tors. theta energy: -97.301
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: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1348.122378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.122378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.122378 (E_RNA)
where:
Base-Base interactions energy: -852.733
where: short stacking energy: -387.188
Base-Backbone interact. energy: 0.249
local terms energy: -495.638355
where:
bonds (distance) C4'-P energy: -122.434
bonds (distance) P-C4' energy: -118.649
flat angles C4'-P-C4' energy: -95.930
flat angles P-C4'-P energy: -80.387
tors. eta vs tors. theta energy: -78.239
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: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1051.375028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.375028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.375028 (E_RNA)
where:
Base-Base interactions energy: -604.661
where: short stacking energy: -306.471
Base-Backbone interact. energy: 1.138
local terms energy: -447.851271
where:
bonds (distance) C4'-P energy: -112.086
bonds (distance) P-C4' energy: -114.812
flat angles C4'-P-C4' energy: -100.543
flat angles P-C4'-P energy: -76.829
tors. eta vs tors. theta energy: -43.581
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: 132
Temperature: 1.300000
Total energy: -1015.252216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.252216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.252216 (E_RNA)
where:
Base-Base interactions energy: -563.028
where: short stacking energy: -278.818
Base-Backbone interact. energy: -1.913
local terms energy: -450.311027
where:
bonds (distance) C4'-P energy: -118.301
bonds (distance) P-C4' energy: -104.225
flat angles C4'-P-C4' energy: -108.522
flat angles P-C4'-P energy: -78.920
tors. eta vs tors. theta energy: -40.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -834.311166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.311166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.311166 (E_RNA)
where:
Base-Base interactions energy: -424.998
where: short stacking energy: -236.189
Base-Backbone interact. energy: 0.814
local terms energy: -410.127098
where:
bonds (distance) C4'-P energy: -92.353
bonds (distance) P-C4' energy: -117.632
flat angles C4'-P-C4' energy: -108.698
flat angles P-C4'-P energy: -61.485
tors. eta vs tors. theta energy: -29.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2230.453736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.453736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.453736 (E_RNA)
where:
Base-Base interactions energy: -1518.386
where: short stacking energy: -673.848
Base-Backbone interact. energy: -2.098
local terms energy: -709.969769
where:
bonds (distance) C4'-P energy: -133.745
bonds (distance) P-C4' energy: -129.549
flat angles C4'-P-C4' energy: -151.232
flat angles P-C4'-P energy: -106.692
tors. eta vs tors. theta energy: -188.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2144.306827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.306827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.306827 (E_RNA)
where:
Base-Base interactions energy: -1448.591
where: short stacking energy: -612.097
Base-Backbone interact. energy: -3.414
local terms energy: -692.301695
where:
bonds (distance) C4'-P energy: -138.171
bonds (distance) P-C4' energy: -128.638
flat angles C4'-P-C4' energy: -151.651
flat angles P-C4'-P energy: -86.146
tors. eta vs tors. theta energy: -187.696
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: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2067.357686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.357686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.357686 (E_RNA)
where:
Base-Base interactions energy: -1421.210
where: short stacking energy: -590.931
Base-Backbone interact. energy: 2.414
local terms energy: -648.561006
where:
bonds (distance) C4'-P energy: -101.478
bonds (distance) P-C4' energy: -142.972
flat angles C4'-P-C4' energy: -136.913
flat angles P-C4'-P energy: -93.608
tors. eta vs tors. theta energy: -173.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1908.099634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.099634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.099634 (E_RNA)
where:
Base-Base interactions energy: -1284.380
where: short stacking energy: -579.894
Base-Backbone interact. energy: -1.963
local terms energy: -621.756339
where:
bonds (distance) C4'-P energy: -122.162
bonds (distance) P-C4' energy: -113.830
flat angles C4'-P-C4' energy: -146.200
flat angles P-C4'-P energy: -88.005
tors. eta vs tors. theta energy: -151.559
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: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1815.267596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.267596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.267596 (E_RNA)
where:
Base-Base interactions energy: -1197.929
where: short stacking energy: -524.751
Base-Backbone interact. energy: -1.392
local terms energy: -615.947117
where:
bonds (distance) C4'-P energy: -127.407
bonds (distance) P-C4' energy: -123.146
flat angles C4'-P-C4' energy: -140.282
flat angles P-C4'-P energy: -76.694
tors. eta vs tors. theta energy: -148.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1546.316382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.316382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.316382 (E_RNA)
where:
Base-Base interactions energy: -1000.643
where: short stacking energy: -458.049
Base-Backbone interact. energy: 7.006
local terms energy: -552.680051
where:
bonds (distance) C4'-P energy: -128.936
bonds (distance) P-C4' energy: -118.844
flat angles C4'-P-C4' energy: -115.858
flat angles P-C4'-P energy: -75.136
tors. eta vs tors. theta energy: -113.906
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: 7, replica: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1393.581348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.581348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.581348 (E_RNA)
where:
Base-Base interactions energy: -876.281
where: short stacking energy: -425.466
Base-Backbone interact. energy: -1.279
local terms energy: -516.022100
where:
bonds (distance) C4'-P energy: -116.710
bonds (distance) P-C4' energy: -118.367
flat angles C4'-P-C4' energy: -123.053
flat angles P-C4'-P energy: -72.692
tors. eta vs tors. theta energy: -85.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1074.253621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.253621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.253621 (E_RNA)
where:
Base-Base interactions energy: -607.047
where: short stacking energy: -310.054
Base-Backbone interact. energy: -0.350
local terms energy: -466.856596
where:
bonds (distance) C4'-P energy: -112.662
bonds (distance) P-C4' energy: -103.530
flat angles C4'-P-C4' energy: -117.177
flat angles P-C4'-P energy: -88.091
tors. eta vs tors. theta energy: -45.396
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: 133
Temperature: 1.300000
Total energy: -977.806883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.806883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.806883 (E_RNA)
where:
Base-Base interactions energy: -549.137
where: short stacking energy: -249.572
Base-Backbone interact. energy: 0.956
local terms energy: -429.625420
where:
bonds (distance) C4'-P energy: -104.499
bonds (distance) P-C4' energy: -124.728
flat angles C4'-P-C4' energy: -103.895
flat angles P-C4'-P energy: -62.543
tors. eta vs tors. theta energy: -33.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -830.596287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.596287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.596287 (E_RNA)
where:
Base-Base interactions energy: -435.804
where: short stacking energy: -227.832
Base-Backbone interact. energy: -2.199
local terms energy: -392.593370
where:
bonds (distance) C4'-P energy: -94.788
bonds (distance) P-C4' energy: -99.762
flat angles C4'-P-C4' energy: -103.837
flat angles P-C4'-P energy: -70.975
tors. eta vs tors. theta energy: -23.232
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: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2202.927518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.927518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.927518 (E_RNA)
where:
Base-Base interactions energy: -1492.631
where: short stacking energy: -637.880
Base-Backbone interact. energy: -1.662
local terms energy: -708.634358
where:
bonds (distance) C4'-P energy: -133.027
bonds (distance) P-C4' energy: -143.235
flat angles C4'-P-C4' energy: -146.719
flat angles P-C4'-P energy: -89.879
tors. eta vs tors. theta energy: -195.775
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: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2175.379794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.379794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.379794 (E_RNA)
where:
Base-Base interactions energy: -1442.874
where: short stacking energy: -647.984
Base-Backbone interact. energy: -1.794
local terms energy: -730.712020
where:
bonds (distance) C4'-P energy: -128.614
bonds (distance) P-C4' energy: -144.748
flat angles C4'-P-C4' energy: -161.386
flat angles P-C4'-P energy: -105.437
tors. eta vs tors. theta energy: -190.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2081.015973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.015973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.015973 (E_RNA)
where:
Base-Base interactions energy: -1424.285
where: short stacking energy: -600.816
Base-Backbone interact. energy: -1.082
local terms energy: -655.648498
where:
bonds (distance) C4'-P energy: -115.891
bonds (distance) P-C4' energy: -141.979
flat angles C4'-P-C4' energy: -133.375
flat angles P-C4'-P energy: -95.294
tors. eta vs tors. theta energy: -169.110
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: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1900.466078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.466078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.466078 (E_RNA)
where:
Base-Base interactions energy: -1273.638
where: short stacking energy: -544.479
Base-Backbone interact. energy: -0.410
local terms energy: -626.417830
where:
bonds (distance) C4'-P energy: -132.571
bonds (distance) P-C4' energy: -124.369
flat angles C4'-P-C4' energy: -138.525
flat angles P-C4'-P energy: -90.262
tors. eta vs tors. theta energy: -140.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1756.121990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.121990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.121990 (E_RNA)
where:
Base-Base interactions energy: -1147.020
where: short stacking energy: -500.118
Base-Backbone interact. energy: -0.920
local terms energy: -608.182041
where:
bonds (distance) C4'-P energy: -116.620
bonds (distance) P-C4' energy: -115.316
flat angles C4'-P-C4' energy: -137.263
flat angles P-C4'-P energy: -88.963
tors. eta vs tors. theta energy: -150.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1599.411242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.411242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.411242 (E_RNA)
where:
Base-Base interactions energy: -1040.034
where: short stacking energy: -482.331
Base-Backbone interact. energy: 0.954
local terms energy: -560.331418
where:
bonds (distance) C4'-P energy: -118.327
bonds (distance) P-C4' energy: -137.877
flat angles C4'-P-C4' energy: -107.617
flat angles P-C4'-P energy: -81.745
tors. eta vs tors. theta energy: -114.766
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: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1327.817744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.817744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.817744 (E_RNA)
where:
Base-Base interactions energy: -870.426
where: short stacking energy: -388.038
Base-Backbone interact. energy: -5.234
local terms energy: -452.157694
where:
bonds (distance) C4'-P energy: -94.313
bonds (distance) P-C4' energy: -102.283
flat angles C4'-P-C4' energy: -113.040
flat angles P-C4'-P energy: -58.252
tors. eta vs tors. theta energy: -84.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1040.009556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.009556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.009556 (E_RNA)
where:
Base-Base interactions energy: -581.399
where: short stacking energy: -296.311
Base-Backbone interact. energy: 3.216
local terms energy: -461.826628
where:
bonds (distance) C4'-P energy: -106.856
bonds (distance) P-C4' energy: -122.098
flat angles C4'-P-C4' energy: -112.475
flat angles P-C4'-P energy: -69.894
tors. eta vs tors. theta energy: -50.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -941.371483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.371483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.371483 (E_RNA)
where:
Base-Base interactions energy: -508.584
where: short stacking energy: -266.279
Base-Backbone interact. energy: 1.703
local terms energy: -434.490363
where:
bonds (distance) C4'-P energy: -109.580
bonds (distance) P-C4' energy: -121.719
flat angles C4'-P-C4' energy: -99.155
flat angles P-C4'-P energy: -72.632
tors. eta vs tors. theta energy: -31.405
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: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -825.436401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.436401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.436401 (E_RNA)
where:
Base-Base interactions energy: -453.032
where: short stacking energy: -233.022
Base-Backbone interact. energy: 2.620
local terms energy: -375.023929
where:
bonds (distance) C4'-P energy: -104.731
bonds (distance) P-C4' energy: -124.160
flat angles C4'-P-C4' energy: -96.483
flat angles P-C4'-P energy: -39.017
tors. eta vs tors. theta energy: -10.633
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: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2211.358421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.358421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.358421 (E_RNA)
where:
Base-Base interactions energy: -1497.661
where: short stacking energy: -641.786
Base-Backbone interact. energy: 0.017
local terms energy: -713.714276
where:
bonds (distance) C4'-P energy: -141.970
bonds (distance) P-C4' energy: -128.053
flat angles C4'-P-C4' energy: -149.729
flat angles P-C4'-P energy: -96.157
tors. eta vs tors. theta energy: -197.806
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: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2166.660506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.660506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.660506 (E_RNA)
where:
Base-Base interactions energy: -1482.248
where: short stacking energy: -637.802
Base-Backbone interact. energy: 0.217
local terms energy: -684.629373
where:
bonds (distance) C4'-P energy: -124.831
bonds (distance) P-C4' energy: -126.484
flat angles C4'-P-C4' energy: -141.556
flat angles P-C4'-P energy: -97.914
tors. eta vs tors. theta energy: -193.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2094.063029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.063029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.063029 (E_RNA)
where:
Base-Base interactions energy: -1425.268
where: short stacking energy: -611.189
Base-Backbone interact. energy: -3.749
local terms energy: -665.046482
where:
bonds (distance) C4'-P energy: -121.233
bonds (distance) P-C4' energy: -135.489
flat angles C4'-P-C4' energy: -153.218
flat angles P-C4'-P energy: -82.747
tors. eta vs tors. theta energy: -172.360
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: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1898.347669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.347669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.347669 (E_RNA)
where:
Base-Base interactions energy: -1282.226
where: short stacking energy: -568.171
Base-Backbone interact. energy: -1.009
local terms energy: -615.112726
where:
bonds (distance) C4'-P energy: -104.075
bonds (distance) P-C4' energy: -124.289
flat angles C4'-P-C4' energy: -133.179
flat angles P-C4'-P energy: -89.846
tors. eta vs tors. theta energy: -163.723
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: 135
Temperature: 1.100000
Total energy: -1772.706991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.706991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.706991 (E_RNA)
where:
Base-Base interactions energy: -1152.560
where: short stacking energy: -490.885
Base-Backbone interact. energy: -2.244
local terms energy: -617.903012
where:
bonds (distance) C4'-P energy: -109.892
bonds (distance) P-C4' energy: -135.418
flat angles C4'-P-C4' energy: -133.739
flat angles P-C4'-P energy: -96.695
tors. eta vs tors. theta energy: -142.159
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: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1545.775483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.775483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.775483 (E_RNA)
where:
Base-Base interactions energy: -999.367
where: short stacking energy: -444.225
Base-Backbone interact. energy: -2.896
local terms energy: -543.511929
where:
bonds (distance) C4'-P energy: -96.363
bonds (distance) P-C4' energy: -113.052
flat angles C4'-P-C4' energy: -132.595
flat angles P-C4'-P energy: -87.226
tors. eta vs tors. theta energy: -114.276
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: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1354.745637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.745637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.745637 (E_RNA)
where:
Base-Base interactions energy: -879.939
where: short stacking energy: -431.093
Base-Backbone interact. energy: 0.438
local terms energy: -475.244208
where:
bonds (distance) C4'-P energy: -114.296
bonds (distance) P-C4' energy: -91.051
flat angles C4'-P-C4' energy: -118.463
flat angles P-C4'-P energy: -58.623
tors. eta vs tors. theta energy: -92.811
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: 135
Temperature: 1.250000
Total energy: -1077.047943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.047943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.047943 (E_RNA)
where:
Base-Base interactions energy: -619.170
where: short stacking energy: -301.563
Base-Backbone interact. energy: -1.345
local terms energy: -456.533156
where:
bonds (distance) C4'-P energy: -106.402
bonds (distance) P-C4' energy: -113.074
flat angles C4'-P-C4' energy: -119.927
flat angles P-C4'-P energy: -79.923
tors. eta vs tors. theta energy: -37.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -912.220805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.220805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.220805 (E_RNA)
where:
Base-Base interactions energy: -548.969
where: short stacking energy: -262.172
Base-Backbone interact. energy: -0.967
local terms energy: -362.284561
where:
bonds (distance) C4'-P energy: -86.429
bonds (distance) P-C4' energy: -115.472
flat angles C4'-P-C4' energy: -98.621
flat angles P-C4'-P energy: -46.387
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -841.191691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.191691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.191691 (E_RNA)
where:
Base-Base interactions energy: -472.796
where: short stacking energy: -220.565
Base-Backbone interact. energy: 1.558
local terms energy: -369.954273
where:
bonds (distance) C4'-P energy: -110.901
bonds (distance) P-C4' energy: -122.282
flat angles C4'-P-C4' energy: -92.054
flat angles P-C4'-P energy: -53.466
tors. eta vs tors. theta energy: 8.749
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: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2240.696913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.696913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.696913 (E_RNA)
where:
Base-Base interactions energy: -1522.339
where: short stacking energy: -674.998
Base-Backbone interact. energy: -0.799
local terms energy: -717.558688
where:
bonds (distance) C4'-P energy: -126.340
bonds (distance) P-C4' energy: -138.161
flat angles C4'-P-C4' energy: -146.188
flat angles P-C4'-P energy: -107.522
tors. eta vs tors. theta energy: -199.349
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: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2129.526914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.526914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.526914 (E_RNA)
where:
Base-Base interactions energy: -1434.197
where: short stacking energy: -609.497
Base-Backbone interact. energy: -0.634
local terms energy: -694.695673
where:
bonds (distance) C4'-P energy: -124.385
bonds (distance) P-C4' energy: -127.991
flat angles C4'-P-C4' energy: -146.269
flat angles P-C4'-P energy: -106.734
tors. eta vs tors. theta energy: -189.317
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: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2056.530887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.530887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.530887 (E_RNA)
where:
Base-Base interactions energy: -1384.901
where: short stacking energy: -592.272
Base-Backbone interact. energy: -5.073
local terms energy: -666.557616
where:
bonds (distance) C4'-P energy: -131.065
bonds (distance) P-C4' energy: -129.675
flat angles C4'-P-C4' energy: -150.029
flat angles P-C4'-P energy: -92.107
tors. eta vs tors. theta energy: -163.681
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: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1881.877899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.877899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.877899 (E_RNA)
where:
Base-Base interactions energy: -1249.053
where: short stacking energy: -531.301
Base-Backbone interact. energy: -2.930
local terms energy: -629.894472
where:
bonds (distance) C4'-P energy: -123.980
bonds (distance) P-C4' energy: -131.430
flat angles C4'-P-C4' energy: -140.585
flat angles P-C4'-P energy: -98.295
tors. eta vs tors. theta energy: -135.604
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: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1767.490975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.490975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.490975 (E_RNA)
where:
Base-Base interactions energy: -1198.368
where: short stacking energy: -509.667
Base-Backbone interact. energy: -2.983
local terms energy: -566.140688
where:
bonds (distance) C4'-P energy: -107.978
bonds (distance) P-C4' energy: -117.726
flat angles C4'-P-C4' energy: -126.112
flat angles P-C4'-P energy: -80.400
tors. eta vs tors. theta energy: -133.925
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: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1585.226224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.226224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.226224 (E_RNA)
where:
Base-Base interactions energy: -1046.550
where: short stacking energy: -492.308
Base-Backbone interact. energy: -1.097
local terms energy: -537.578864
where:
bonds (distance) C4'-P energy: -109.901
bonds (distance) P-C4' energy: -77.156
flat angles C4'-P-C4' energy: -132.342
flat angles P-C4'-P energy: -84.458
tors. eta vs tors. theta energy: -133.722
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: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1265.913074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.913074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.913074 (E_RNA)
where:
Base-Base interactions energy: -790.473
where: short stacking energy: -398.315
Base-Backbone interact. energy: -2.233
local terms energy: -473.206249
where:
bonds (distance) C4'-P energy: -92.585
bonds (distance) P-C4' energy: -117.435
flat angles C4'-P-C4' energy: -110.420
flat angles P-C4'-P energy: -75.413
tors. eta vs tors. theta energy: -77.353
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: 136
Temperature: 1.250000
Total energy: -1119.585550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.585550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.585550 (E_RNA)
where:
Base-Base interactions energy: -674.721
where: short stacking energy: -343.387
Base-Backbone interact. energy: -0.097
local terms energy: -444.767421
where:
bonds (distance) C4'-P energy: -106.528
bonds (distance) P-C4' energy: -113.162
flat angles C4'-P-C4' energy: -113.604
flat angles P-C4'-P energy: -60.997
tors. eta vs tors. theta energy: -50.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -962.298229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.298229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.298229 (E_RNA)
where:
Base-Base interactions energy: -592.553
where: short stacking energy: -298.210
Base-Backbone interact. energy: 0.337
local terms energy: -370.082141
where:
bonds (distance) C4'-P energy: -88.114
bonds (distance) P-C4' energy: -105.674
flat angles C4'-P-C4' energy: -92.079
flat angles P-C4'-P energy: -50.542
tors. eta vs tors. theta energy: -33.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -901.534074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.534074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.534074 (E_RNA)
where:
Base-Base interactions energy: -495.059
where: short stacking energy: -242.789
Base-Backbone interact. energy: 0.685
local terms energy: -407.159926
where:
bonds (distance) C4'-P energy: -90.347
bonds (distance) P-C4' energy: -124.536
flat angles C4'-P-C4' energy: -100.407
flat angles P-C4'-P energy: -77.001
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2248.428159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.428159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.428159 (E_RNA)
where:
Base-Base interactions energy: -1537.832
where: short stacking energy: -672.645
Base-Backbone interact. energy: -1.366
local terms energy: -709.229859
where:
bonds (distance) C4'-P energy: -120.530
bonds (distance) P-C4' energy: -128.728
flat angles C4'-P-C4' energy: -154.892
flat angles P-C4'-P energy: -104.778
tors. eta vs tors. theta energy: -200.303
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: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2117.662896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.662896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.662896 (E_RNA)
where:
Base-Base interactions energy: -1438.492
where: short stacking energy: -640.714
Base-Backbone interact. energy: 1.096
local terms energy: -680.266853
where:
bonds (distance) C4'-P energy: -121.345
bonds (distance) P-C4' energy: -133.219
flat angles C4'-P-C4' energy: -151.884
flat angles P-C4'-P energy: -89.402
tors. eta vs tors. theta energy: -184.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2126.019217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.019217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.019217 (E_RNA)
where:
Base-Base interactions energy: -1453.410
where: short stacking energy: -643.008
Base-Backbone interact. energy: -0.529
local terms energy: -672.079348
where:
bonds (distance) C4'-P energy: -127.004
bonds (distance) P-C4' energy: -123.640
flat angles C4'-P-C4' energy: -157.051
flat angles P-C4'-P energy: -92.569
tors. eta vs tors. theta energy: -171.816
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: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1886.040626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.040626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.040626 (E_RNA)
where:
Base-Base interactions energy: -1269.716
where: short stacking energy: -559.028
Base-Backbone interact. energy: -2.838
local terms energy: -613.486269
where:
bonds (distance) C4'-P energy: -117.677
bonds (distance) P-C4' energy: -111.764
flat angles C4'-P-C4' energy: -140.774
flat angles P-C4'-P energy: -96.106
tors. eta vs tors. theta energy: -147.165
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: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1768.984150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.984150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.984150 (E_RNA)
where:
Base-Base interactions energy: -1177.779
where: short stacking energy: -512.678
Base-Backbone interact. energy: -2.573
local terms energy: -588.632680
where:
bonds (distance) C4'-P energy: -104.229
bonds (distance) P-C4' energy: -126.100
flat angles C4'-P-C4' energy: -130.754
flat angles P-C4'-P energy: -87.260
tors. eta vs tors. theta energy: -140.290
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: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1544.830625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.830625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.830625 (E_RNA)
where:
Base-Base interactions energy: -995.367
where: short stacking energy: -449.201
Base-Backbone interact. energy: -1.545
local terms energy: -547.918959
where:
bonds (distance) C4'-P energy: -119.562
bonds (distance) P-C4' energy: -133.502
flat angles C4'-P-C4' energy: -120.020
flat angles P-C4'-P energy: -70.362
tors. eta vs tors. theta energy: -104.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1338.000121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.000121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.000121 (E_RNA)
where:
Base-Base interactions energy: -844.489
where: short stacking energy: -397.264
Base-Backbone interact. energy: -3.386
local terms energy: -490.124679
where:
bonds (distance) C4'-P energy: -116.497
bonds (distance) P-C4' energy: -124.239
flat angles C4'-P-C4' energy: -108.018
flat angles P-C4'-P energy: -72.171
tors. eta vs tors. theta energy: -69.199
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: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1071.458981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.458981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.458981 (E_RNA)
where:
Base-Base interactions energy: -649.808
where: short stacking energy: -295.751
Base-Backbone interact. energy: -0.651
local terms energy: -421.000034
where:
bonds (distance) C4'-P energy: -117.952
bonds (distance) P-C4' energy: -103.633
flat angles C4'-P-C4' energy: -89.391
flat angles P-C4'-P energy: -67.190
tors. eta vs tors. theta energy: -42.834
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: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -962.322833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.322833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.322833 (E_RNA)
where:
Base-Base interactions energy: -566.387
where: short stacking energy: -280.652
Base-Backbone interact. energy: 1.821
local terms energy: -397.757504
where:
bonds (distance) C4'-P energy: -113.192
bonds (distance) P-C4' energy: -106.464
flat angles C4'-P-C4' energy: -88.113
flat angles P-C4'-P energy: -49.784
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: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -912.199974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.199974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.199974 (E_RNA)
where:
Base-Base interactions energy: -531.295
where: short stacking energy: -288.101
Base-Backbone interact. energy: 1.112
local terms energy: -382.017084
where:
bonds (distance) C4'-P energy: -113.516
bonds (distance) P-C4' energy: -90.678
flat angles C4'-P-C4' energy: -108.997
flat angles P-C4'-P energy: -30.957
tors. eta vs tors. theta energy: -37.869
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: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2229.838448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.838448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.838448 (E_RNA)
where:
Base-Base interactions energy: -1517.668
where: short stacking energy: -706.453
Base-Backbone interact. energy: -3.523
local terms energy: -708.646950
where:
bonds (distance) C4'-P energy: -131.863
bonds (distance) P-C4' energy: -122.059
flat angles C4'-P-C4' energy: -156.017
flat angles P-C4'-P energy: -100.367
tors. eta vs tors. theta energy: -198.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2125.605154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.605154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.605154 (E_RNA)
where:
Base-Base interactions energy: -1442.279
where: short stacking energy: -620.084
Base-Backbone interact. energy: -2.236
local terms energy: -681.090661
where:
bonds (distance) C4'-P energy: -135.270
bonds (distance) P-C4' energy: -126.982
flat angles C4'-P-C4' energy: -146.025
flat angles P-C4'-P energy: -99.736
tors. eta vs tors. theta energy: -173.078
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: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2062.346578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.346578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.346578 (E_RNA)
where:
Base-Base interactions energy: -1404.721
where: short stacking energy: -579.496
Base-Backbone interact. energy: -0.528
local terms energy: -657.098374
where:
bonds (distance) C4'-P energy: -139.810
bonds (distance) P-C4' energy: -129.894
flat angles C4'-P-C4' energy: -143.346
flat angles P-C4'-P energy: -81.831
tors. eta vs tors. theta energy: -162.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1892.775380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.775380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.775380 (E_RNA)
where:
Base-Base interactions energy: -1262.049
where: short stacking energy: -547.577
Base-Backbone interact. energy: -3.593
local terms energy: -627.132780
where:
bonds (distance) C4'-P energy: -121.267
bonds (distance) P-C4' energy: -130.073
flat angles C4'-P-C4' energy: -134.144
flat angles P-C4'-P energy: -77.250
tors. eta vs tors. theta energy: -164.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1800.942200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.942200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.942200 (E_RNA)
where:
Base-Base interactions energy: -1176.427
where: short stacking energy: -521.263
Base-Backbone interact. energy: 0.181
local terms energy: -624.696058
where:
bonds (distance) C4'-P energy: -132.138
bonds (distance) P-C4' energy: -138.681
flat angles C4'-P-C4' energy: -131.692
flat angles P-C4'-P energy: -82.340
tors. eta vs tors. theta energy: -139.846
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: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1548.080810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.080810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.080810 (E_RNA)
where:
Base-Base interactions energy: -1000.741
where: short stacking energy: -443.690
Base-Backbone interact. energy: -4.589
local terms energy: -542.751419
where:
bonds (distance) C4'-P energy: -116.755
bonds (distance) P-C4' energy: -122.058
flat angles C4'-P-C4' energy: -122.860
flat angles P-C4'-P energy: -71.540
tors. eta vs tors. theta energy: -109.539
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: 138
Temperature: 1.200000
Total energy: -1259.614706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.614706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.614706 (E_RNA)
where:
Base-Base interactions energy: -778.665
where: short stacking energy: -363.687
Base-Backbone interact. energy: 1.812
local terms energy: -482.762170
where:
bonds (distance) C4'-P energy: -117.956
bonds (distance) P-C4' energy: -119.446
flat angles C4'-P-C4' energy: -108.324
flat angles P-C4'-P energy: -75.511
tors. eta vs tors. theta energy: -61.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1112.055029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.055029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.055029 (E_RNA)
where:
Base-Base interactions energy: -667.124
where: short stacking energy: -329.468
Base-Backbone interact. energy: -0.518
local terms energy: -444.413327
where:
bonds (distance) C4'-P energy: -94.961
bonds (distance) P-C4' energy: -113.557
flat angles C4'-P-C4' energy: -124.914
flat angles P-C4'-P energy: -54.642
tors. eta vs tors. theta energy: -56.340
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: 138
Temperature: 1.300000
Total energy: -964.866136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.866136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.866136 (E_RNA)
where:
Base-Base interactions energy: -571.058
where: short stacking energy: -274.690
Base-Backbone interact. energy: 1.770
local terms energy: -395.578736
where:
bonds (distance) C4'-P energy: -110.072
bonds (distance) P-C4' energy: -117.556
flat angles C4'-P-C4' energy: -96.196
flat angles P-C4'-P energy: -53.338
tors. eta vs tors. theta energy: -18.417
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: 138
Temperature: 1.350000
Total energy: -967.764668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.764668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.764668 (E_RNA)
where:
Base-Base interactions energy: -570.843
where: short stacking energy: -275.846
Base-Backbone interact. energy: 1.676
local terms energy: -398.597889
where:
bonds (distance) C4'-P energy: -100.961
bonds (distance) P-C4' energy: -116.097
flat angles C4'-P-C4' energy: -87.773
flat angles P-C4'-P energy: -63.273
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: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2209.983694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.983694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.983694 (E_RNA)
where:
Base-Base interactions energy: -1511.843
where: short stacking energy: -677.882
Base-Backbone interact. energy: 0.103
local terms energy: -698.242875
where:
bonds (distance) C4'-P energy: -133.194
bonds (distance) P-C4' energy: -110.300
flat angles C4'-P-C4' energy: -143.595
flat angles P-C4'-P energy: -109.521
tors. eta vs tors. theta energy: -201.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2189.336202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.336202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.336202 (E_RNA)
where:
Base-Base interactions energy: -1479.806
where: short stacking energy: -657.646
Base-Backbone interact. energy: -1.042
local terms energy: -708.488167
where:
bonds (distance) C4'-P energy: -121.781
bonds (distance) P-C4' energy: -133.770
flat angles C4'-P-C4' energy: -161.035
flat angles P-C4'-P energy: -91.451
tors. eta vs tors. theta energy: -200.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2054.946085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.946085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.946085 (E_RNA)
where:
Base-Base interactions energy: -1441.726
where: short stacking energy: -586.055
Base-Backbone interact. energy: 0.337
local terms energy: -613.556435
where:
bonds (distance) C4'-P energy: -112.838
bonds (distance) P-C4' energy: -120.721
flat angles C4'-P-C4' energy: -144.064
flat angles P-C4'-P energy: -80.231
tors. eta vs tors. theta energy: -155.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1927.655104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.655104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.655104 (E_RNA)
where:
Base-Base interactions energy: -1279.641
where: short stacking energy: -585.269
Base-Backbone interact. energy: -2.306
local terms energy: -645.708031
where:
bonds (distance) C4'-P energy: -121.432
bonds (distance) P-C4' energy: -132.614
flat angles C4'-P-C4' energy: -129.443
flat angles P-C4'-P energy: -97.093
tors. eta vs tors. theta energy: -165.127
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: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1796.485382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.485382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.485382 (E_RNA)
where:
Base-Base interactions energy: -1211.330
where: short stacking energy: -519.593
Base-Backbone interact. energy: -0.979
local terms energy: -584.176320
where:
bonds (distance) C4'-P energy: -111.691
bonds (distance) P-C4' energy: -122.762
flat angles C4'-P-C4' energy: -131.786
flat angles P-C4'-P energy: -79.873
tors. eta vs tors. theta energy: -138.065
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: 139
Temperature: 1.150000
Total energy: -1519.385073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.385073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.385073 (E_RNA)
where:
Base-Base interactions energy: -965.709
where: short stacking energy: -453.366
Base-Backbone interact. energy: -0.401
local terms energy: -553.274948
where:
bonds (distance) C4'-P energy: -119.027
bonds (distance) P-C4' energy: -117.213
flat angles C4'-P-C4' energy: -132.806
flat angles P-C4'-P energy: -74.515
tors. eta vs tors. theta energy: -109.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1284.774628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.774628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.774628 (E_RNA)
where:
Base-Base interactions energy: -826.751
where: short stacking energy: -399.113
Base-Backbone interact. energy: 0.311
local terms energy: -458.334607
where:
bonds (distance) C4'-P energy: -89.888
bonds (distance) P-C4' energy: -120.418
flat angles C4'-P-C4' energy: -119.131
flat angles P-C4'-P energy: -57.986
tors. eta vs tors. theta energy: -70.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1116.080009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.080009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.080009 (E_RNA)
where:
Base-Base interactions energy: -691.034
where: short stacking energy: -331.234
Base-Backbone interact. energy: -1.098
local terms energy: -423.947740
where:
bonds (distance) C4'-P energy: -97.264
bonds (distance) P-C4' energy: -116.990
flat angles C4'-P-C4' energy: -117.076
flat angles P-C4'-P energy: -47.674
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: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -888.099607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.099607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.099607 (E_RNA)
where:
Base-Base interactions energy: -512.002
where: short stacking energy: -250.267
Base-Backbone interact. energy: 0.655
local terms energy: -376.752725
where:
bonds (distance) C4'-P energy: -87.849
bonds (distance) P-C4' energy: -118.315
flat angles C4'-P-C4' energy: -97.556
flat angles P-C4'-P energy: -70.542
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -968.672946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.672946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.672946 (E_RNA)
where:
Base-Base interactions energy: -538.762
where: short stacking energy: -254.867
Base-Backbone interact. energy: 8.765
local terms energy: -438.676648
where:
bonds (distance) C4'-P energy: -106.056
bonds (distance) P-C4' energy: -109.193
flat angles C4'-P-C4' energy: -123.318
flat angles P-C4'-P energy: -62.265
tors. eta vs tors. theta energy: -37.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2240.209551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.209551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.209551 (E_RNA)
where:
Base-Base interactions energy: -1519.531
where: short stacking energy: -702.362
Base-Backbone interact. energy: -0.169
local terms energy: -720.509755
where:
bonds (distance) C4'-P energy: -120.890
bonds (distance) P-C4' energy: -134.989
flat angles C4'-P-C4' energy: -158.008
flat angles P-C4'-P energy: -109.037
tors. eta vs tors. theta energy: -197.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2165.922582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.922582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.922582 (E_RNA)
where:
Base-Base interactions energy: -1482.663
where: short stacking energy: -648.629
Base-Backbone interact. energy: -2.030
local terms energy: -681.229715
where:
bonds (distance) C4'-P energy: -135.771
bonds (distance) P-C4' energy: -120.217
flat angles C4'-P-C4' energy: -143.605
flat angles P-C4'-P energy: -94.896
tors. eta vs tors. theta energy: -186.741
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: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2049.418537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.418537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.418537 (E_RNA)
where:
Base-Base interactions energy: -1433.139
where: short stacking energy: -604.829
Base-Backbone interact. energy: 2.843
local terms energy: -619.122632
where:
bonds (distance) C4'-P energy: -116.502
bonds (distance) P-C4' energy: -119.642
flat angles C4'-P-C4' energy: -131.170
flat angles P-C4'-P energy: -91.266
tors. eta vs tors. theta energy: -160.543
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: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1907.869798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.869798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.869798 (E_RNA)
where:
Base-Base interactions energy: -1261.662
where: short stacking energy: -556.067
Base-Backbone interact. energy: -2.806
local terms energy: -643.401467
where:
bonds (distance) C4'-P energy: -101.341
bonds (distance) P-C4' energy: -147.538
flat angles C4'-P-C4' energy: -140.339
flat angles P-C4'-P energy: -86.293
tors. eta vs tors. theta energy: -167.891
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: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1798.334067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.334067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.334067 (E_RNA)
where:
Base-Base interactions energy: -1194.403
where: short stacking energy: -528.796
Base-Backbone interact. energy: -1.603
local terms energy: -602.327922
where:
bonds (distance) C4'-P energy: -118.457
bonds (distance) P-C4' energy: -119.705
flat angles C4'-P-C4' energy: -126.821
flat angles P-C4'-P energy: -88.515
tors. eta vs tors. theta energy: -148.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1605.845616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.845616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.845616 (E_RNA)
where:
Base-Base interactions energy: -1028.747
where: short stacking energy: -473.462
Base-Backbone interact. energy: 0.988
local terms energy: -578.086861
where:
bonds (distance) C4'-P energy: -114.975
bonds (distance) P-C4' energy: -120.068
flat angles C4'-P-C4' energy: -135.047
flat angles P-C4'-P energy: -85.731
tors. eta vs tors. theta energy: -122.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1312.884729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.884729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.884729 (E_RNA)
where:
Base-Base interactions energy: -814.810
where: short stacking energy: -377.768
Base-Backbone interact. energy: -3.507
local terms energy: -494.567329
where:
bonds (distance) C4'-P energy: -108.677
bonds (distance) P-C4' energy: -113.929
flat angles C4'-P-C4' energy: -134.390
flat angles P-C4'-P energy: -60.899
tors. eta vs tors. theta energy: -76.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1181.494560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.494560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.494560 (E_RNA)
where:
Base-Base interactions energy: -713.975
where: short stacking energy: -351.050
Base-Backbone interact. energy: -1.423
local terms energy: -466.096116
where:
bonds (distance) C4'-P energy: -117.295
bonds (distance) P-C4' energy: -126.021
flat angles C4'-P-C4' energy: -103.172
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: -61.043
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: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1025.548158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.548158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.548158 (E_RNA)
where:
Base-Base interactions energy: -619.147
where: short stacking energy: -299.402
Base-Backbone interact. energy: -0.018
local terms energy: -406.382590
where:
bonds (distance) C4'-P energy: -97.242
bonds (distance) P-C4' energy: -119.231
flat angles C4'-P-C4' energy: -99.409
flat angles P-C4'-P energy: -42.495
tors. eta vs tors. theta energy: -48.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -819.436040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.436040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.436040 (E_RNA)
where:
Base-Base interactions energy: -441.984
where: short stacking energy: -257.455
Base-Backbone interact. energy: 3.816
local terms energy: -381.268571
where:
bonds (distance) C4'-P energy: -96.503
bonds (distance) P-C4' energy: -110.597
flat angles C4'-P-C4' energy: -95.745
flat angles P-C4'-P energy: -55.363
tors. eta vs tors. theta energy: -23.061
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: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2230.862924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.862924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.862924 (E_RNA)
where:
Base-Base interactions energy: -1505.504
where: short stacking energy: -661.881
Base-Backbone interact. energy: -0.467
local terms energy: -724.891786
where:
bonds (distance) C4'-P energy: -133.558
bonds (distance) P-C4' energy: -136.162
flat angles C4'-P-C4' energy: -145.869
flat angles P-C4'-P energy: -114.867
tors. eta vs tors. theta energy: -194.436
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: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2192.787780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.787780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.787780 (E_RNA)
where:
Base-Base interactions energy: -1489.938
where: short stacking energy: -656.465
Base-Backbone interact. energy: -5.057
local terms energy: -697.793058
where:
bonds (distance) C4'-P energy: -129.270
bonds (distance) P-C4' energy: -121.196
flat angles C4'-P-C4' energy: -149.995
flat angles P-C4'-P energy: -102.394
tors. eta vs tors. theta energy: -194.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2077.788969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.788969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.788969 (E_RNA)
where:
Base-Base interactions energy: -1413.127
where: short stacking energy: -574.246
Base-Backbone interact. energy: -0.229
local terms energy: -664.432884
where:
bonds (distance) C4'-P energy: -121.860
bonds (distance) P-C4' energy: -142.830
flat angles C4'-P-C4' energy: -140.151
flat angles P-C4'-P energy: -93.115
tors. eta vs tors. theta energy: -166.476
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: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1901.788280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.788280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.788280 (E_RNA)
where:
Base-Base interactions energy: -1256.641
where: short stacking energy: -555.737
Base-Backbone interact. energy: -2.048
local terms energy: -643.099323
where:
bonds (distance) C4'-P energy: -117.393
bonds (distance) P-C4' energy: -127.070
flat angles C4'-P-C4' energy: -131.988
flat angles P-C4'-P energy: -100.772
tors. eta vs tors. theta energy: -165.877
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: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1782.005295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.005295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.005295 (E_RNA)
where:
Base-Base interactions energy: -1192.889
where: short stacking energy: -506.990
Base-Backbone interact. energy: -0.420
local terms energy: -588.696536
where:
bonds (distance) C4'-P energy: -124.873
bonds (distance) P-C4' energy: -127.242
flat angles C4'-P-C4' energy: -128.277
flat angles P-C4'-P energy: -88.743
tors. eta vs tors. theta energy: -119.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1523.452169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.452169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.452169 (E_RNA)
where:
Base-Base interactions energy: -972.048
where: short stacking energy: -456.328
Base-Backbone interact. energy: -2.515
local terms energy: -548.888601
where:
bonds (distance) C4'-P energy: -122.933
bonds (distance) P-C4' energy: -110.996
flat angles C4'-P-C4' energy: -126.555
flat angles P-C4'-P energy: -72.885
tors. eta vs tors. theta energy: -115.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1244.448583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.448583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.448583 (E_RNA)
where:
Base-Base interactions energy: -753.054
where: short stacking energy: -371.403
Base-Backbone interact. energy: 2.348
local terms energy: -493.742590
where:
bonds (distance) C4'-P energy: -115.202
bonds (distance) P-C4' energy: -118.142
flat angles C4'-P-C4' energy: -116.563
flat angles P-C4'-P energy: -64.493
tors. eta vs tors. theta energy: -79.342
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: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1100.817576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.817576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.817576 (E_RNA)
where:
Base-Base interactions energy: -643.883
where: short stacking energy: -336.800
Base-Backbone interact. energy: 0.736
local terms energy: -457.670624
where:
bonds (distance) C4'-P energy: -105.303
bonds (distance) P-C4' energy: -96.016
flat angles C4'-P-C4' energy: -114.688
flat angles P-C4'-P energy: -79.497
tors. eta vs tors. theta energy: -62.166
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: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -983.560293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.560293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.560293 (E_RNA)
where:
Base-Base interactions energy: -584.955
where: short stacking energy: -261.500
Base-Backbone interact. energy: -2.087
local terms energy: -396.518264
where:
bonds (distance) C4'-P energy: -100.324
bonds (distance) P-C4' energy: -125.505
flat angles C4'-P-C4' energy: -96.841
flat angles P-C4'-P energy: -47.410
tors. eta vs tors. theta energy: -26.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -846.487109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.487109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.487109 (E_RNA)
where:
Base-Base interactions energy: -468.099
where: short stacking energy: -238.872
Base-Backbone interact. energy: -0.741
local terms energy: -377.647467
where:
bonds (distance) C4'-P energy: -125.075
bonds (distance) P-C4' energy: -106.513
flat angles C4'-P-C4' energy: -99.672
flat angles P-C4'-P energy: -46.450
tors. eta vs tors. theta energy: 0.062
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: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2218.727263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.727263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.727263 (E_RNA)
where:
Base-Base interactions energy: -1494.249
where: short stacking energy: -676.515
Base-Backbone interact. energy: -1.127
local terms energy: -723.350998
where:
bonds (distance) C4'-P energy: -137.885
bonds (distance) P-C4' energy: -128.456
flat angles C4'-P-C4' energy: -158.266
flat angles P-C4'-P energy: -106.865
tors. eta vs tors. theta energy: -191.879
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: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2180.350580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.350580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.350580 (E_RNA)
where:
Base-Base interactions energy: -1505.067
where: short stacking energy: -632.728
Base-Backbone interact. energy: 2.512
local terms energy: -677.795539
where:
bonds (distance) C4'-P energy: -137.169
bonds (distance) P-C4' energy: -122.383
flat angles C4'-P-C4' energy: -143.501
flat angles P-C4'-P energy: -92.509
tors. eta vs tors. theta energy: -182.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2048.329172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.329172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.329172 (E_RNA)
where:
Base-Base interactions energy: -1425.921
where: short stacking energy: -575.479
Base-Backbone interact. energy: -3.181
local terms energy: -619.227676
where:
bonds (distance) C4'-P energy: -131.371
bonds (distance) P-C4' energy: -120.421
flat angles C4'-P-C4' energy: -131.390
flat angles P-C4'-P energy: -81.608
tors. eta vs tors. theta energy: -154.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1941.385077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.385077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.385077 (E_RNA)
where:
Base-Base interactions energy: -1313.872
where: short stacking energy: -569.352
Base-Backbone interact. energy: -3.712
local terms energy: -623.800869
where:
bonds (distance) C4'-P energy: -127.222
bonds (distance) P-C4' energy: -119.481
flat angles C4'-P-C4' energy: -135.334
flat angles P-C4'-P energy: -82.096
tors. eta vs tors. theta energy: -159.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1733.943808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.943808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.943808 (E_RNA)
where:
Base-Base interactions energy: -1160.529
where: short stacking energy: -482.072
Base-Backbone interact. energy: -4.035
local terms energy: -569.379671
where:
bonds (distance) C4'-P energy: -110.054
bonds (distance) P-C4' energy: -131.065
flat angles C4'-P-C4' energy: -119.888
flat angles P-C4'-P energy: -83.777
tors. eta vs tors. theta energy: -124.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1511.001474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.001474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.001474 (E_RNA)
where:
Base-Base interactions energy: -955.580
where: short stacking energy: -460.948
Base-Backbone interact. energy: -1.989
local terms energy: -553.432837
where:
bonds (distance) C4'-P energy: -108.978
bonds (distance) P-C4' energy: -120.854
flat angles C4'-P-C4' energy: -130.298
flat angles P-C4'-P energy: -77.601
tors. eta vs tors. theta energy: -115.702
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: 7, replica: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1225.913518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.913518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.913518 (E_RNA)
where:
Base-Base interactions energy: -731.082
where: short stacking energy: -376.954
Base-Backbone interact. energy: 4.718
local terms energy: -499.549921
where:
bonds (distance) C4'-P energy: -135.051
bonds (distance) P-C4' energy: -101.354
flat angles C4'-P-C4' energy: -119.885
flat angles P-C4'-P energy: -71.743
tors. eta vs tors. theta energy: -71.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1008.056309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.056309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.056309 (E_RNA)
where:
Base-Base interactions energy: -579.512
where: short stacking energy: -284.833
Base-Backbone interact. energy: -3.083
local terms energy: -425.461863
where:
bonds (distance) C4'-P energy: -105.504
bonds (distance) P-C4' energy: -127.364
flat angles C4'-P-C4' energy: -97.937
flat angles P-C4'-P energy: -58.433
tors. eta vs tors. theta energy: -36.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -919.874624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.874624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.874624 (E_RNA)
where:
Base-Base interactions energy: -547.150
where: short stacking energy: -273.546
Base-Backbone interact. energy: -1.848
local terms energy: -370.876731
where:
bonds (distance) C4'-P energy: -96.883
bonds (distance) P-C4' energy: -103.800
flat angles C4'-P-C4' energy: -94.149
flat angles P-C4'-P energy: -64.527
tors. eta vs tors. theta energy: -11.518
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: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -923.771405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.771405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.771405 (E_RNA)
where:
Base-Base interactions energy: -558.529
where: short stacking energy: -257.427
Base-Backbone interact. energy: 2.905
local terms energy: -368.147099
where:
bonds (distance) C4'-P energy: -117.887
bonds (distance) P-C4' energy: -101.858
flat angles C4'-P-C4' energy: -88.291
flat angles P-C4'-P energy: -60.272
tors. eta vs tors. theta energy: 0.162
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: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2236.986195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.986195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.986195 (E_RNA)
where:
Base-Base interactions energy: -1520.323
where: short stacking energy: -650.375
Base-Backbone interact. energy: -0.525
local terms energy: -716.138116
where:
bonds (distance) C4'-P energy: -138.712
bonds (distance) P-C4' energy: -137.974
flat angles C4'-P-C4' energy: -142.636
flat angles P-C4'-P energy: -104.100
tors. eta vs tors. theta energy: -192.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2149.676237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.676237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.676237 (E_RNA)
where:
Base-Base interactions energy: -1445.881
where: short stacking energy: -646.297
Base-Backbone interact. energy: -2.666
local terms energy: -701.130118
where:
bonds (distance) C4'-P energy: -128.038
bonds (distance) P-C4' energy: -134.827
flat angles C4'-P-C4' energy: -147.373
flat angles P-C4'-P energy: -98.790
tors. eta vs tors. theta energy: -192.102
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: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2085.570927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.570927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.570927 (E_RNA)
where:
Base-Base interactions energy: -1435.174
where: short stacking energy: -602.384
Base-Backbone interact. energy: -0.762
local terms energy: -649.635137
where:
bonds (distance) C4'-P energy: -117.169
bonds (distance) P-C4' energy: -131.082
flat angles C4'-P-C4' energy: -135.349
flat angles P-C4'-P energy: -100.450
tors. eta vs tors. theta energy: -165.586
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: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1945.180381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.180381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.180381 (E_RNA)
where:
Base-Base interactions energy: -1282.333
where: short stacking energy: -572.729
Base-Backbone interact. energy: -1.836
local terms energy: -661.010978
where:
bonds (distance) C4'-P energy: -134.819
bonds (distance) P-C4' energy: -139.434
flat angles C4'-P-C4' energy: -131.808
flat angles P-C4'-P energy: -82.239
tors. eta vs tors. theta energy: -172.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1790.348230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.348230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.348230 (E_RNA)
where:
Base-Base interactions energy: -1186.486
where: short stacking energy: -542.039
Base-Backbone interact. energy: -2.554
local terms energy: -601.308583
where:
bonds (distance) C4'-P energy: -122.545
bonds (distance) P-C4' energy: -119.040
flat angles C4'-P-C4' energy: -128.560
flat angles P-C4'-P energy: -74.713
tors. eta vs tors. theta energy: -156.451
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: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1483.642821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.642821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.642821 (E_RNA)
where:
Base-Base interactions energy: -949.295
where: short stacking energy: -447.219
Base-Backbone interact. energy: 1.673
local terms energy: -536.020305
where:
bonds (distance) C4'-P energy: -115.966
bonds (distance) P-C4' energy: -112.877
flat angles C4'-P-C4' energy: -126.268
flat angles P-C4'-P energy: -69.160
tors. eta vs tors. theta energy: -111.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1225.431439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.431439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.431439 (E_RNA)
where:
Base-Base interactions energy: -748.866
where: short stacking energy: -365.345
Base-Backbone interact. energy: -2.051
local terms energy: -474.514370
where:
bonds (distance) C4'-P energy: -104.724
bonds (distance) P-C4' energy: -110.384
flat angles C4'-P-C4' energy: -105.746
flat angles P-C4'-P energy: -78.219
tors. eta vs tors. theta energy: -75.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -971.581068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.581068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.581068 (E_RNA)
where:
Base-Base interactions energy: -546.114
where: short stacking energy: -282.641
Base-Backbone interact. energy: 0.868
local terms energy: -426.334949
where:
bonds (distance) C4'-P energy: -113.977
bonds (distance) P-C4' energy: -120.557
flat angles C4'-P-C4' energy: -96.456
flat angles P-C4'-P energy: -48.716
tors. eta vs tors. theta energy: -46.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -918.451521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.451521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.451521 (E_RNA)
where:
Base-Base interactions energy: -484.059
where: short stacking energy: -247.448
Base-Backbone interact. energy: 0.203
local terms energy: -434.595968
where:
bonds (distance) C4'-P energy: -108.765
bonds (distance) P-C4' energy: -116.187
flat angles C4'-P-C4' energy: -123.498
flat angles P-C4'-P energy: -66.421
tors. eta vs tors. theta energy: -19.725
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: 143
Temperature: 1.350000
Total energy: -920.654575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.654575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.654575 (E_RNA)
where:
Base-Base interactions energy: -548.092
where: short stacking energy: -246.677
Base-Backbone interact. energy: -0.213
local terms energy: -372.350426
where:
bonds (distance) C4'-P energy: -100.788
bonds (distance) P-C4' energy: -102.246
flat angles C4'-P-C4' energy: -89.187
flat angles P-C4'-P energy: -62.931
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2206.802188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.802188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.802188 (E_RNA)
where:
Base-Base interactions energy: -1475.183
where: short stacking energy: -629.092
Base-Backbone interact. energy: -2.374
local terms energy: -729.245786
where:
bonds (distance) C4'-P energy: -150.068
bonds (distance) P-C4' energy: -140.715
flat angles C4'-P-C4' energy: -154.363
flat angles P-C4'-P energy: -97.996
tors. eta vs tors. theta energy: -186.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2168.599640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.599640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.599640 (E_RNA)
where:
Base-Base interactions energy: -1480.184
where: short stacking energy: -640.148
Base-Backbone interact. energy: -1.177
local terms energy: -687.238433
where:
bonds (distance) C4'-P energy: -114.972
bonds (distance) P-C4' energy: -133.318
flat angles C4'-P-C4' energy: -155.727
flat angles P-C4'-P energy: -98.977
tors. eta vs tors. theta energy: -184.245
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: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2095.344056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.344056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.344056 (E_RNA)
where:
Base-Base interactions energy: -1458.390
where: short stacking energy: -592.890
Base-Backbone interact. energy: -1.730
local terms energy: -635.224421
where:
bonds (distance) C4'-P energy: -123.378
bonds (distance) P-C4' energy: -116.051
flat angles C4'-P-C4' energy: -148.245
flat angles P-C4'-P energy: -90.361
tors. eta vs tors. theta energy: -157.189
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: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2000.272928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.272928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.272928 (E_RNA)
where:
Base-Base interactions energy: -1364.724
where: short stacking energy: -606.907
Base-Backbone interact. energy: 1.086
local terms energy: -636.635493
where:
bonds (distance) C4'-P energy: -124.545
bonds (distance) P-C4' energy: -107.546
flat angles C4'-P-C4' energy: -144.369
flat angles P-C4'-P energy: -85.256
tors. eta vs tors. theta energy: -174.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1751.383341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.383341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.383341 (E_RNA)
where:
Base-Base interactions energy: -1196.794
where: short stacking energy: -493.113
Base-Backbone interact. energy: -2.229
local terms energy: -552.360408
where:
bonds (distance) C4'-P energy: -109.333
bonds (distance) P-C4' energy: -103.444
flat angles C4'-P-C4' energy: -114.025
flat angles P-C4'-P energy: -94.100
tors. eta vs tors. theta energy: -131.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1508.608091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.608091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.608091 (E_RNA)
where:
Base-Base interactions energy: -973.690
where: short stacking energy: -436.598
Base-Backbone interact. energy: -1.886
local terms energy: -533.031602
where:
bonds (distance) C4'-P energy: -112.790
bonds (distance) P-C4' energy: -115.761
flat angles C4'-P-C4' energy: -126.743
flat angles P-C4'-P energy: -69.880
tors. eta vs tors. theta energy: -107.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1263.232974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.232974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.232974 (E_RNA)
where:
Base-Base interactions energy: -784.949
where: short stacking energy: -383.111
Base-Backbone interact. energy: 0.501
local terms energy: -478.785655
where:
bonds (distance) C4'-P energy: -115.608
bonds (distance) P-C4' energy: -123.483
flat angles C4'-P-C4' energy: -117.526
flat angles P-C4'-P energy: -56.788
tors. eta vs tors. theta energy: -65.381
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: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1036.677198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.677198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.677198 (E_RNA)
where:
Base-Base interactions energy: -574.413
where: short stacking energy: -291.704
Base-Backbone interact. energy: -2.656
local terms energy: -459.608331
where:
bonds (distance) C4'-P energy: -121.613
bonds (distance) P-C4' energy: -118.868
flat angles C4'-P-C4' energy: -107.356
flat angles P-C4'-P energy: -53.818
tors. eta vs tors. theta energy: -57.952
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: 144
Temperature: 1.300000
Total energy: -979.647783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.647783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.647783 (E_RNA)
where:
Base-Base interactions energy: -590.256
where: short stacking energy: -292.460
Base-Backbone interact. energy: 0.288
local terms energy: -389.680284
where:
bonds (distance) C4'-P energy: -107.664
bonds (distance) P-C4' energy: -116.330
flat angles C4'-P-C4' energy: -90.399
flat angles P-C4'-P energy: -38.492
tors. eta vs tors. theta energy: -36.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -804.441398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.441398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.441398 (E_RNA)
where:
Base-Base interactions energy: -432.301
where: short stacking energy: -213.485
Base-Backbone interact. energy: 0.716
local terms energy: -372.855969
where:
bonds (distance) C4'-P energy: -108.356
bonds (distance) P-C4' energy: -126.037
flat angles C4'-P-C4' energy: -71.774
flat angles P-C4'-P energy: -53.231
tors. eta vs tors. theta energy: -13.458
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: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2232.244892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.244892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.244892 (E_RNA)
where:
Base-Base interactions energy: -1547.762
where: short stacking energy: -678.566
Base-Backbone interact. energy: -0.777
local terms energy: -683.705959
where:
bonds (distance) C4'-P energy: -120.485
bonds (distance) P-C4' energy: -137.065
flat angles C4'-P-C4' energy: -138.282
flat angles P-C4'-P energy: -99.671
tors. eta vs tors. theta energy: -188.203
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: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2154.707436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.707436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.707436 (E_RNA)
where:
Base-Base interactions energy: -1470.885
where: short stacking energy: -646.755
Base-Backbone interact. energy: 0.577
local terms energy: -684.398685
where:
bonds (distance) C4'-P energy: -126.539
bonds (distance) P-C4' energy: -133.792
flat angles C4'-P-C4' energy: -144.910
flat angles P-C4'-P energy: -96.003
tors. eta vs tors. theta energy: -183.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2099.629421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.629421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.629421 (E_RNA)
where:
Base-Base interactions energy: -1458.473
where: short stacking energy: -582.713
Base-Backbone interact. energy: -2.172
local terms energy: -638.983970
where:
bonds (distance) C4'-P energy: -127.383
bonds (distance) P-C4' energy: -121.981
flat angles C4'-P-C4' energy: -144.438
flat angles P-C4'-P energy: -85.749
tors. eta vs tors. theta energy: -159.434
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: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1966.555271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.555271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.555271 (E_RNA)
where:
Base-Base interactions energy: -1316.381
where: short stacking energy: -595.555
Base-Backbone interact. energy: -1.810
local terms energy: -648.364709
where:
bonds (distance) C4'-P energy: -111.639
bonds (distance) P-C4' energy: -119.985
flat angles C4'-P-C4' energy: -141.597
flat angles P-C4'-P energy: -97.524
tors. eta vs tors. theta energy: -177.620
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: 145
Temperature: 1.100000
Total energy: -1740.024762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.024762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.024762 (E_RNA)
where:
Base-Base interactions energy: -1158.880
where: short stacking energy: -498.592
Base-Backbone interact. energy: -1.906
local terms energy: -579.238882
where:
bonds (distance) C4'-P energy: -116.223
bonds (distance) P-C4' energy: -120.107
flat angles C4'-P-C4' energy: -126.940
flat angles P-C4'-P energy: -81.489
tors. eta vs tors. theta energy: -134.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1529.814240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.814240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.814240 (E_RNA)
where:
Base-Base interactions energy: -1002.057
where: short stacking energy: -449.540
Base-Backbone interact. energy: 1.564
local terms energy: -529.321577
where:
bonds (distance) C4'-P energy: -116.382
bonds (distance) P-C4' energy: -98.084
flat angles C4'-P-C4' energy: -120.340
flat angles P-C4'-P energy: -81.482
tors. eta vs tors. theta energy: -113.033
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: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1261.017354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.017354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.017354 (E_RNA)
where:
Base-Base interactions energy: -814.580
where: short stacking energy: -406.962
Base-Backbone interact. energy: 3.579
local terms energy: -450.016236
where:
bonds (distance) C4'-P energy: -117.140
bonds (distance) P-C4' energy: -107.303
flat angles C4'-P-C4' energy: -108.146
flat angles P-C4'-P energy: -41.738
tors. eta vs tors. theta energy: -75.690
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: 145
Temperature: 1.250000
Total energy: -1021.348948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.348948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.348948 (E_RNA)
where:
Base-Base interactions energy: -601.383
where: short stacking energy: -305.509
Base-Backbone interact. energy: 2.087
local terms energy: -422.053554
where:
bonds (distance) C4'-P energy: -96.464
bonds (distance) P-C4' energy: -127.535
flat angles C4'-P-C4' energy: -105.760
flat angles P-C4'-P energy: -50.915
tors. eta vs tors. theta energy: -41.379
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: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -938.938730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.938730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.938730 (E_RNA)
where:
Base-Base interactions energy: -527.112
where: short stacking energy: -269.175
Base-Backbone interact. energy: 2.668
local terms energy: -414.494508
where:
bonds (distance) C4'-P energy: -107.785
bonds (distance) P-C4' energy: -122.283
flat angles C4'-P-C4' energy: -95.461
flat angles P-C4'-P energy: -65.080
tors. eta vs tors. theta energy: -23.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -786.826381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.826381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.826381 (E_RNA)
where:
Base-Base interactions energy: -394.903
where: short stacking energy: -218.599
Base-Backbone interact. energy: 4.279
local terms energy: -396.203229
where:
bonds (distance) C4'-P energy: -107.049
bonds (distance) P-C4' energy: -125.147
flat angles C4'-P-C4' energy: -87.038
flat angles P-C4'-P energy: -63.426
tors. eta vs tors. theta energy: -13.544
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: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2189.196485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.196485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.196485 (E_RNA)
where:
Base-Base interactions energy: -1499.800
where: short stacking energy: -640.749
Base-Backbone interact. energy: 0.627
local terms energy: -690.023158
where:
bonds (distance) C4'-P energy: -143.313
bonds (distance) P-C4' energy: -115.574
flat angles C4'-P-C4' energy: -148.481
flat angles P-C4'-P energy: -101.609
tors. eta vs tors. theta energy: -181.046
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: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2138.730256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.730256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.730256 (E_RNA)
where:
Base-Base interactions energy: -1450.074
where: short stacking energy: -656.601
Base-Backbone interact. energy: -2.256
local terms energy: -686.400031
where:
bonds (distance) C4'-P energy: -128.852
bonds (distance) P-C4' energy: -123.863
flat angles C4'-P-C4' energy: -139.897
flat angles P-C4'-P energy: -100.134
tors. eta vs tors. theta energy: -193.654
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: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2071.784576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.784576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.784576 (E_RNA)
where:
Base-Base interactions energy: -1431.763
where: short stacking energy: -595.575
Base-Backbone interact. energy: -4.118
local terms energy: -635.904252
where:
bonds (distance) C4'-P energy: -107.050
bonds (distance) P-C4' energy: -133.670
flat angles C4'-P-C4' energy: -139.411
flat angles P-C4'-P energy: -91.849
tors. eta vs tors. theta energy: -163.925
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: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1932.568356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.568356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.568356 (E_RNA)
where:
Base-Base interactions energy: -1271.357
where: short stacking energy: -578.854
Base-Backbone interact. energy: -3.379
local terms energy: -657.831969
where:
bonds (distance) C4'-P energy: -123.926
bonds (distance) P-C4' energy: -130.543
flat angles C4'-P-C4' energy: -153.234
flat angles P-C4'-P energy: -82.944
tors. eta vs tors. theta energy: -167.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1741.791935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.791935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.791935 (E_RNA)
where:
Base-Base interactions energy: -1160.585
where: short stacking energy: -471.731
Base-Backbone interact. energy: 4.672
local terms energy: -585.878830
where:
bonds (distance) C4'-P energy: -118.852
bonds (distance) P-C4' energy: -132.707
flat angles C4'-P-C4' energy: -129.597
flat angles P-C4'-P energy: -78.969
tors. eta vs tors. theta energy: -125.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1586.918799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.918799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.918799 (E_RNA)
where:
Base-Base interactions energy: -1033.100
where: short stacking energy: -474.842
Base-Backbone interact. energy: -0.760
local terms energy: -553.059573
where:
bonds (distance) C4'-P energy: -116.343
bonds (distance) P-C4' energy: -122.379
flat angles C4'-P-C4' energy: -123.804
flat angles P-C4'-P energy: -80.449
tors. eta vs tors. theta energy: -110.084
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: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1254.384155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.384155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.384155 (E_RNA)
where:
Base-Base interactions energy: -763.124
where: short stacking energy: -355.353
Base-Backbone interact. energy: 1.713
local terms energy: -492.973109
where:
bonds (distance) C4'-P energy: -90.243
bonds (distance) P-C4' energy: -116.369
flat angles C4'-P-C4' energy: -124.732
flat angles P-C4'-P energy: -97.142
tors. eta vs tors. theta energy: -64.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1059.944826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.944826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.944826 (E_RNA)
where:
Base-Base interactions energy: -605.158
where: short stacking energy: -314.984
Base-Backbone interact. energy: 0.612
local terms energy: -455.398507
where:
bonds (distance) C4'-P energy: -130.034
bonds (distance) P-C4' energy: -127.757
flat angles C4'-P-C4' energy: -109.676
flat angles P-C4'-P energy: -53.818
tors. eta vs tors. theta energy: -34.114
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: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -956.874237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.874237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.874237 (E_RNA)
where:
Base-Base interactions energy: -524.105
where: short stacking energy: -258.187
Base-Backbone interact. energy: 7.673
local terms energy: -440.442891
where:
bonds (distance) C4'-P energy: -121.963
bonds (distance) P-C4' energy: -99.823
flat angles C4'-P-C4' energy: -114.816
flat angles P-C4'-P energy: -68.320
tors. eta vs tors. theta energy: -35.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -795.433013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.433013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.433013 (E_RNA)
where:
Base-Base interactions energy: -425.819
where: short stacking energy: -259.756
Base-Backbone interact. energy: 2.091
local terms energy: -371.705177
where:
bonds (distance) C4'-P energy: -112.125
bonds (distance) P-C4' energy: -94.610
flat angles C4'-P-C4' energy: -81.515
flat angles P-C4'-P energy: -59.940
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2192.887111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.887111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.887111 (E_RNA)
where:
Base-Base interactions energy: -1514.006
where: short stacking energy: -647.079
Base-Backbone interact. energy: -1.291
local terms energy: -677.590092
where:
bonds (distance) C4'-P energy: -127.642
bonds (distance) P-C4' energy: -124.793
flat angles C4'-P-C4' energy: -138.166
flat angles P-C4'-P energy: -99.324
tors. eta vs tors. theta energy: -187.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2193.156702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.156702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.156702 (E_RNA)
where:
Base-Base interactions energy: -1488.427
where: short stacking energy: -650.258
Base-Backbone interact. energy: -1.042
local terms energy: -703.687645
where:
bonds (distance) C4'-P energy: -121.757
bonds (distance) P-C4' energy: -140.307
flat angles C4'-P-C4' energy: -149.768
flat angles P-C4'-P energy: -95.098
tors. eta vs tors. theta energy: -196.758
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: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2157.246390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.246390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.246390 (E_RNA)
where:
Base-Base interactions energy: -1498.520
where: short stacking energy: -604.709
Base-Backbone interact. energy: -1.962
local terms energy: -656.764077
where:
bonds (distance) C4'-P energy: -118.520
bonds (distance) P-C4' energy: -145.210
flat angles C4'-P-C4' energy: -143.514
flat angles P-C4'-P energy: -84.595
tors. eta vs tors. theta energy: -164.924
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: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1928.449034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.449034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.449034 (E_RNA)
where:
Base-Base interactions energy: -1294.611
where: short stacking energy: -568.669
Base-Backbone interact. energy: -5.581
local terms energy: -628.256486
where:
bonds (distance) C4'-P energy: -112.999
bonds (distance) P-C4' energy: -133.611
flat angles C4'-P-C4' energy: -128.287
flat angles P-C4'-P energy: -69.984
tors. eta vs tors. theta energy: -183.376
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: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1775.625651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.625651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.625651 (E_RNA)
where:
Base-Base interactions energy: -1181.020
where: short stacking energy: -486.270
Base-Backbone interact. energy: -5.088
local terms energy: -589.517286
where:
bonds (distance) C4'-P energy: -132.973
bonds (distance) P-C4' energy: -121.146
flat angles C4'-P-C4' energy: -133.163
flat angles P-C4'-P energy: -75.027
tors. eta vs tors. theta energy: -127.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1551.935056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.935056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.935056 (E_RNA)
where:
Base-Base interactions energy: -1038.449
where: short stacking energy: -465.258
Base-Backbone interact. energy: 1.193
local terms energy: -514.679475
where:
bonds (distance) C4'-P energy: -114.584
bonds (distance) P-C4' energy: -116.445
flat angles C4'-P-C4' energy: -112.655
flat angles P-C4'-P energy: -72.916
tors. eta vs tors. theta energy: -98.080
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: 147
Temperature: 1.200000
Total energy: -1303.403000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.403000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.403000 (E_RNA)
where:
Base-Base interactions energy: -822.992
where: short stacking energy: -403.700
Base-Backbone interact. energy: 4.237
local terms energy: -484.647633
where:
bonds (distance) C4'-P energy: -104.227
bonds (distance) P-C4' energy: -128.290
flat angles C4'-P-C4' energy: -105.798
flat angles P-C4'-P energy: -68.864
tors. eta vs tors. theta energy: -77.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1011.161672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.161672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.161672 (E_RNA)
where:
Base-Base interactions energy: -574.720
where: short stacking energy: -286.151
Base-Backbone interact. energy: -2.462
local terms energy: -433.979006
where:
bonds (distance) C4'-P energy: -116.266
bonds (distance) P-C4' energy: -102.619
flat angles C4'-P-C4' energy: -101.917
flat angles P-C4'-P energy: -67.976
tors. eta vs tors. theta energy: -45.201
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: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -902.672986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.672986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.672986 (E_RNA)
where:
Base-Base interactions energy: -493.922
where: short stacking energy: -271.906
Base-Backbone interact. energy: 3.239
local terms energy: -411.990246
where:
bonds (distance) C4'-P energy: -112.442
bonds (distance) P-C4' energy: -97.609
flat angles C4'-P-C4' energy: -115.023
flat angles P-C4'-P energy: -69.926
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: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -736.800055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.800055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.800055 (E_RNA)
where:
Base-Base interactions energy: -379.076
where: short stacking energy: -211.991
Base-Backbone interact. energy: -1.656
local terms energy: -356.067620
where:
bonds (distance) C4'-P energy: -102.955
bonds (distance) P-C4' energy: -110.545
flat angles C4'-P-C4' energy: -79.180
flat angles P-C4'-P energy: -67.217
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: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2218.159242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.159242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.159242 (E_RNA)
where:
Base-Base interactions energy: -1516.623
where: short stacking energy: -653.523
Base-Backbone interact. energy: -3.807
local terms energy: -697.728780
where:
bonds (distance) C4'-P energy: -124.136
bonds (distance) P-C4' energy: -136.464
flat angles C4'-P-C4' energy: -147.631
flat angles P-C4'-P energy: -101.493
tors. eta vs tors. theta energy: -188.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2174.435346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.435346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.435346 (E_RNA)
where:
Base-Base interactions energy: -1444.412
where: short stacking energy: -631.916
Base-Backbone interact. energy: -1.657
local terms energy: -728.365627
where:
bonds (distance) C4'-P energy: -130.846
bonds (distance) P-C4' energy: -134.549
flat angles C4'-P-C4' energy: -160.277
flat angles P-C4'-P energy: -106.487
tors. eta vs tors. theta energy: -196.206
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: 148
Temperature: 1.000000
Total energy: -2140.009074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.009074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.009074 (E_RNA)
where:
Base-Base interactions energy: -1475.940
where: short stacking energy: -624.372
Base-Backbone interact. energy: -2.459
local terms energy: -661.609815
where:
bonds (distance) C4'-P energy: -117.185
bonds (distance) P-C4' energy: -129.946
flat angles C4'-P-C4' energy: -149.897
flat angles P-C4'-P energy: -101.617
tors. eta vs tors. theta energy: -162.965
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: 148
Temperature: 1.050000
Total energy: -1989.287645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.287645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.287645 (E_RNA)
where:
Base-Base interactions energy: -1331.511
where: short stacking energy: -592.689
Base-Backbone interact. energy: -0.015
local terms energy: -657.762072
where:
bonds (distance) C4'-P energy: -116.212
bonds (distance) P-C4' energy: -136.431
flat angles C4'-P-C4' energy: -136.293
flat angles P-C4'-P energy: -93.803
tors. eta vs tors. theta energy: -175.022
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: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1735.571741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.571741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.571741 (E_RNA)
where:
Base-Base interactions energy: -1188.287
where: short stacking energy: -507.132
Base-Backbone interact. energy: 5.010
local terms energy: -552.294675
where:
bonds (distance) C4'-P energy: -110.445
bonds (distance) P-C4' energy: -112.727
flat angles C4'-P-C4' energy: -128.551
flat angles P-C4'-P energy: -72.735
tors. eta vs tors. theta energy: -127.836
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: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1612.598654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.598654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.598654 (E_RNA)
where:
Base-Base interactions energy: -1039.223
where: short stacking energy: -494.281
Base-Backbone interact. energy: 2.748
local terms energy: -576.123316
where:
bonds (distance) C4'-P energy: -110.697
bonds (distance) P-C4' energy: -130.947
flat angles C4'-P-C4' energy: -118.159
flat angles P-C4'-P energy: -89.117
tors. eta vs tors. theta energy: -127.202
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: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1283.803650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.803650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.803650 (E_RNA)
where:
Base-Base interactions energy: -803.781
where: short stacking energy: -387.201
Base-Backbone interact. energy: -3.060
local terms energy: -476.962632
where:
bonds (distance) C4'-P energy: -115.467
bonds (distance) P-C4' energy: -101.251
flat angles C4'-P-C4' energy: -100.762
flat angles P-C4'-P energy: -71.307
tors. eta vs tors. theta energy: -88.175
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: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1051.933107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.933107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.933107 (E_RNA)
where:
Base-Base interactions energy: -626.373
where: short stacking energy: -318.619
Base-Backbone interact. energy: -3.019
local terms energy: -422.540803
where:
bonds (distance) C4'-P energy: -110.654
bonds (distance) P-C4' energy: -124.666
flat angles C4'-P-C4' energy: -98.157
flat angles P-C4'-P energy: -49.479
tors. eta vs tors. theta energy: -39.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -856.646964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.646964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.646964 (E_RNA)
where:
Base-Base interactions energy: -480.296
where: short stacking energy: -242.391
Base-Backbone interact. energy: -1.082
local terms energy: -375.268879
where:
bonds (distance) C4'-P energy: -115.298
bonds (distance) P-C4' energy: -109.919
flat angles C4'-P-C4' energy: -89.859
flat angles P-C4'-P energy: -45.144
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -698.433953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.433953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.433953 (E_RNA)
where:
Base-Base interactions energy: -369.853
where: short stacking energy: -216.211
Base-Backbone interact. energy: 0.687
local terms energy: -329.267710
where:
bonds (distance) C4'-P energy: -94.457
bonds (distance) P-C4' energy: -97.788
flat angles C4'-P-C4' energy: -92.164
flat angles P-C4'-P energy: -45.535
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2215.467872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.467872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.467872 (E_RNA)
where:
Base-Base interactions energy: -1517.680
where: short stacking energy: -635.657
Base-Backbone interact. energy: -0.571
local terms energy: -697.217482
where:
bonds (distance) C4'-P energy: -126.584
bonds (distance) P-C4' energy: -138.474
flat angles C4'-P-C4' energy: -148.648
flat angles P-C4'-P energy: -87.214
tors. eta vs tors. theta energy: -196.298
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: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2189.270191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.270191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.270191 (E_RNA)
where:
Base-Base interactions energy: -1520.209
where: short stacking energy: -634.599
Base-Backbone interact. energy: 0.451
local terms energy: -669.512216
where:
bonds (distance) C4'-P energy: -123.008
bonds (distance) P-C4' energy: -138.791
flat angles C4'-P-C4' energy: -149.806
flat angles P-C4'-P energy: -89.720
tors. eta vs tors. theta energy: -168.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2048.763386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.763386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.763386 (E_RNA)
where:
Base-Base interactions energy: -1357.813
where: short stacking energy: -613.315
Base-Backbone interact. energy: -2.457
local terms energy: -688.493797
where:
bonds (distance) C4'-P energy: -117.245
bonds (distance) P-C4' energy: -135.517
flat angles C4'-P-C4' energy: -149.496
flat angles P-C4'-P energy: -99.907
tors. eta vs tors. theta energy: -186.329
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: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1966.876811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.876811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.876811 (E_RNA)
where:
Base-Base interactions energy: -1313.116
where: short stacking energy: -598.687
Base-Backbone interact. energy: -1.516
local terms energy: -652.244832
where:
bonds (distance) C4'-P energy: -122.794
bonds (distance) P-C4' energy: -135.022
flat angles C4'-P-C4' energy: -135.217
flat angles P-C4'-P energy: -81.366
tors. eta vs tors. theta energy: -177.846
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: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1761.252164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.252164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.252164 (E_RNA)
where:
Base-Base interactions energy: -1164.059
where: short stacking energy: -497.784
Base-Backbone interact. energy: -2.568
local terms energy: -594.625163
where:
bonds (distance) C4'-P energy: -123.418
bonds (distance) P-C4' energy: -132.215
flat angles C4'-P-C4' energy: -131.136
flat angles P-C4'-P energy: -83.242
tors. eta vs tors. theta energy: -124.613
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: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1569.122645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.122645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.122645 (E_RNA)
where:
Base-Base interactions energy: -1017.700
where: short stacking energy: -472.129
Base-Backbone interact. energy: -1.780
local terms energy: -549.643116
where:
bonds (distance) C4'-P energy: -106.221
bonds (distance) P-C4' energy: -113.711
flat angles C4'-P-C4' energy: -134.181
flat angles P-C4'-P energy: -90.042
tors. eta vs tors. theta energy: -105.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1321.480704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.480704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.480704 (E_RNA)
where:
Base-Base interactions energy: -795.424
where: short stacking energy: -387.769
Base-Backbone interact. energy: 2.011
local terms energy: -528.066957
where:
bonds (distance) C4'-P energy: -112.961
bonds (distance) P-C4' energy: -122.598
flat angles C4'-P-C4' energy: -128.000
flat angles P-C4'-P energy: -85.443
tors. eta vs tors. theta energy: -79.065
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: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1071.713743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.713743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.713743 (E_RNA)
where:
Base-Base interactions energy: -654.173
where: short stacking energy: -310.582
Base-Backbone interact. energy: -2.308
local terms energy: -415.232376
where:
bonds (distance) C4'-P energy: -115.634
bonds (distance) P-C4' energy: -98.944
flat angles C4'-P-C4' energy: -105.265
flat angles P-C4'-P energy: -66.636
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -844.914113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.914113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.914113 (E_RNA)
where:
Base-Base interactions energy: -478.866
where: short stacking energy: -254.606
Base-Backbone interact. energy: 2.736
local terms energy: -368.783850
where:
bonds (distance) C4'-P energy: -87.932
bonds (distance) P-C4' energy: -111.667
flat angles C4'-P-C4' energy: -101.828
flat angles P-C4'-P energy: -54.541
tors. eta vs tors. theta energy: -12.816
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: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -747.021048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.021048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.021048 (E_RNA)
where:
Base-Base interactions energy: -383.198
where: short stacking energy: -197.279
Base-Backbone interact. energy: -2.362
local terms energy: -361.461290
where:
bonds (distance) C4'-P energy: -101.376
bonds (distance) P-C4' energy: -120.252
flat angles C4'-P-C4' energy: -105.256
flat angles P-C4'-P energy: -41.729
tors. eta vs tors. theta energy: 7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2223.737668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.737668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.737668 (E_RNA)
where:
Base-Base interactions energy: -1518.135
where: short stacking energy: -663.808
Base-Backbone interact. energy: -1.255
local terms energy: -704.348509
where:
bonds (distance) C4'-P energy: -136.476
bonds (distance) P-C4' energy: -140.014
flat angles C4'-P-C4' energy: -144.144
flat angles P-C4'-P energy: -100.040
tors. eta vs tors. theta energy: -183.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2160.601478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.601478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.601478 (E_RNA)
where:
Base-Base interactions energy: -1505.380
where: short stacking energy: -607.423
Base-Backbone interact. energy: -3.630
local terms energy: -651.591055
where:
bonds (distance) C4'-P energy: -126.758
bonds (distance) P-C4' energy: -126.172
flat angles C4'-P-C4' energy: -137.386
flat angles P-C4'-P energy: -93.764
tors. eta vs tors. theta energy: -167.511
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: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2022.456182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.456182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.456182 (E_RNA)
where:
Base-Base interactions energy: -1355.961
where: short stacking energy: -618.537
Base-Backbone interact. energy: -3.055
local terms energy: -663.439714
where:
bonds (distance) C4'-P energy: -127.316
bonds (distance) P-C4' energy: -124.142
flat angles C4'-P-C4' energy: -144.712
flat angles P-C4'-P energy: -93.911
tors. eta vs tors. theta energy: -173.359
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: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1978.821324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.821324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.821324 (E_RNA)
where:
Base-Base interactions energy: -1337.293
where: short stacking energy: -588.136
Base-Backbone interact. energy: 1.039
local terms energy: -642.566930
where:
bonds (distance) C4'-P energy: -112.050
bonds (distance) P-C4' energy: -123.272
flat angles C4'-P-C4' energy: -148.426
flat angles P-C4'-P energy: -89.715
tors. eta vs tors. theta energy: -169.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1752.518427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.518427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.518427 (E_RNA)
where:
Base-Base interactions energy: -1138.737
where: short stacking energy: -518.381
Base-Backbone interact. energy: -2.161
local terms energy: -611.619855
where:
bonds (distance) C4'-P energy: -116.122
bonds (distance) P-C4' energy: -121.226
flat angles C4'-P-C4' energy: -127.104
flat angles P-C4'-P energy: -98.658
tors. eta vs tors. theta energy: -148.510
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: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1548.380151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.380151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.380151 (E_RNA)
where:
Base-Base interactions energy: -1047.539
where: short stacking energy: -454.873
Base-Backbone interact. energy: -4.268
local terms energy: -496.573629
where:
bonds (distance) C4'-P energy: -98.620
bonds (distance) P-C4' energy: -110.819
flat angles C4'-P-C4' energy: -114.677
flat angles P-C4'-P energy: -64.231
tors. eta vs tors. theta energy: -108.227
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: 150
Temperature: 1.200000
Total energy: -1314.986255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.986255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.986255 (E_RNA)
where:
Base-Base interactions energy: -804.735
where: short stacking energy: -379.040
Base-Backbone interact. energy: 0.677
local terms energy: -510.927943
where:
bonds (distance) C4'-P energy: -118.832
bonds (distance) P-C4' energy: -121.683
flat angles C4'-P-C4' energy: -104.891
flat angles P-C4'-P energy: -74.425
tors. eta vs tors. theta energy: -91.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1032.581107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.581107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.581107 (E_RNA)
where:
Base-Base interactions energy: -567.344
where: short stacking energy: -302.230
Base-Backbone interact. energy: -2.062
local terms energy: -463.174397
where:
bonds (distance) C4'-P energy: -110.170
bonds (distance) P-C4' energy: -131.281
flat angles C4'-P-C4' energy: -113.654
flat angles P-C4'-P energy: -68.573
tors. eta vs tors. theta energy: -39.496
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: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -894.891091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.891091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.891091 (E_RNA)
where:
Base-Base interactions energy: -487.554
where: short stacking energy: -269.293
Base-Backbone interact. energy: 4.909
local terms energy: -412.246277
where:
bonds (distance) C4'-P energy: -99.781
bonds (distance) P-C4' energy: -97.352
flat angles C4'-P-C4' energy: -110.928
flat angles P-C4'-P energy: -63.672
tors. eta vs tors. theta energy: -40.513
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: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -781.064135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.064135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.064135 (E_RNA)
where:
Base-Base interactions energy: -410.283
where: short stacking energy: -210.259
Base-Backbone interact. energy: -1.483
local terms energy: -369.298403
where:
bonds (distance) C4'-P energy: -115.181
bonds (distance) P-C4' energy: -100.147
flat angles C4'-P-C4' energy: -78.164
flat angles P-C4'-P energy: -70.184
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2234.890886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.890886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.890886 (E_RNA)
where:
Base-Base interactions energy: -1523.721
where: short stacking energy: -666.009
Base-Backbone interact. energy: -2.355
local terms energy: -708.815003
where:
bonds (distance) C4'-P energy: -118.508
bonds (distance) P-C4' energy: -144.697
flat angles C4'-P-C4' energy: -153.306
flat angles P-C4'-P energy: -97.303
tors. eta vs tors. theta energy: -195.001
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: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2150.685178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.685178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.685178 (E_RNA)
where:
Base-Base interactions energy: -1479.605
where: short stacking energy: -615.694
Base-Backbone interact. energy: -5.434
local terms energy: -665.646147
where:
bonds (distance) C4'-P energy: -118.729
bonds (distance) P-C4' energy: -121.074
flat angles C4'-P-C4' energy: -153.490
flat angles P-C4'-P energy: -102.529
tors. eta vs tors. theta energy: -169.823
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: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2050.775388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.775388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.775388 (E_RNA)
where:
Base-Base interactions energy: -1376.972
where: short stacking energy: -601.273
Base-Backbone interact. energy: -2.022
local terms energy: -671.781840
where:
bonds (distance) C4'-P energy: -119.174
bonds (distance) P-C4' energy: -136.888
flat angles C4'-P-C4' energy: -147.037
flat angles P-C4'-P energy: -91.686
tors. eta vs tors. theta energy: -176.997
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: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2009.240174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.240174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.240174 (E_RNA)
where:
Base-Base interactions energy: -1317.131
where: short stacking energy: -608.205
Base-Backbone interact. energy: 0.003
local terms energy: -692.111355
where:
bonds (distance) C4'-P energy: -130.316
bonds (distance) P-C4' energy: -135.881
flat angles C4'-P-C4' energy: -145.206
flat angles P-C4'-P energy: -99.510
tors. eta vs tors. theta energy: -181.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1777.215005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.215005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.215005 (E_RNA)
where:
Base-Base interactions energy: -1148.535
where: short stacking energy: -524.945
Base-Backbone interact. energy: 0.608
local terms energy: -629.287690
where:
bonds (distance) C4'-P energy: -112.704
bonds (distance) P-C4' energy: -131.811
flat angles C4'-P-C4' energy: -151.140
flat angles P-C4'-P energy: -95.556
tors. eta vs tors. theta energy: -138.077
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: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1597.525066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.525066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.525066 (E_RNA)
where:
Base-Base interactions energy: -1071.792
where: short stacking energy: -449.320
Base-Backbone interact. energy: 3.918
local terms energy: -529.651061
where:
bonds (distance) C4'-P energy: -123.727
bonds (distance) P-C4' energy: -108.289
flat angles C4'-P-C4' energy: -130.854
flat angles P-C4'-P energy: -66.602
tors. eta vs tors. theta energy: -100.179
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: 151
Temperature: 1.200000
Total energy: -1280.101739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.101739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.101739 (E_RNA)
where:
Base-Base interactions energy: -825.310
where: short stacking energy: -387.697
Base-Backbone interact. energy: -2.541
local terms energy: -452.250642
where:
bonds (distance) C4'-P energy: -115.695
bonds (distance) P-C4' energy: -97.627
flat angles C4'-P-C4' energy: -109.008
flat angles P-C4'-P energy: -59.299
tors. eta vs tors. theta energy: -70.622
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: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1007.840195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.840195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.840195 (E_RNA)
where:
Base-Base interactions energy: -561.154
where: short stacking energy: -288.978
Base-Backbone interact. energy: -0.177
local terms energy: -446.508964
where:
bonds (distance) C4'-P energy: -104.653
bonds (distance) P-C4' energy: -117.311
flat angles C4'-P-C4' energy: -117.521
flat angles P-C4'-P energy: -68.953
tors. eta vs tors. theta energy: -38.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -827.515701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.515701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.515701 (E_RNA)
where:
Base-Base interactions energy: -430.758
where: short stacking energy: -238.314
Base-Backbone interact. energy: -1.902
local terms energy: -394.855040
where:
bonds (distance) C4'-P energy: -110.738
bonds (distance) P-C4' energy: -126.735
flat angles C4'-P-C4' energy: -97.522
flat angles P-C4'-P energy: -57.132
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -842.095175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.095175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.095175 (E_RNA)
where:
Base-Base interactions energy: -455.883
where: short stacking energy: -245.487
Base-Backbone interact. energy: 2.148
local terms energy: -388.360936
where:
bonds (distance) C4'-P energy: -95.537
bonds (distance) P-C4' energy: -126.958
flat angles C4'-P-C4' energy: -83.299
flat angles P-C4'-P energy: -60.273
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2246.205778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.205778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.205778 (E_RNA)
where:
Base-Base interactions energy: -1510.535
where: short stacking energy: -671.666
Base-Backbone interact. energy: -3.876
local terms energy: -731.794699
where:
bonds (distance) C4'-P energy: -137.039
bonds (distance) P-C4' energy: -148.837
flat angles C4'-P-C4' energy: -148.395
flat angles P-C4'-P energy: -103.620
tors. eta vs tors. theta energy: -193.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2143.075005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.075005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.075005 (E_RNA)
where:
Base-Base interactions energy: -1472.349
where: short stacking energy: -593.870
Base-Backbone interact. energy: -3.783
local terms energy: -666.943446
where:
bonds (distance) C4'-P energy: -142.145
bonds (distance) P-C4' energy: -127.402
flat angles C4'-P-C4' energy: -144.621
flat angles P-C4'-P energy: -90.701
tors. eta vs tors. theta energy: -162.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2030.298820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.298820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.298820 (E_RNA)
where:
Base-Base interactions energy: -1360.939
where: short stacking energy: -595.822
Base-Backbone interact. energy: -1.809
local terms energy: -667.550485
where:
bonds (distance) C4'-P energy: -125.439
bonds (distance) P-C4' energy: -141.510
flat angles C4'-P-C4' energy: -138.483
flat angles P-C4'-P energy: -95.658
tors. eta vs tors. theta energy: -166.461
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: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2005.167435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.167435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.167435 (E_RNA)
where:
Base-Base interactions energy: -1359.626
where: short stacking energy: -618.774
Base-Backbone interact. energy: -2.247
local terms energy: -643.294502
where:
bonds (distance) C4'-P energy: -118.893
bonds (distance) P-C4' energy: -116.780
flat angles C4'-P-C4' energy: -137.564
flat angles P-C4'-P energy: -81.550
tors. eta vs tors. theta energy: -188.507
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: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1804.370666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.370666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.370666 (E_RNA)
where:
Base-Base interactions energy: -1190.652
where: short stacking energy: -516.590
Base-Backbone interact. energy: -0.634
local terms energy: -613.084455
where:
bonds (distance) C4'-P energy: -125.000
bonds (distance) P-C4' energy: -123.884
flat angles C4'-P-C4' energy: -127.887
flat angles P-C4'-P energy: -94.642
tors. eta vs tors. theta energy: -141.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1616.951859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.951859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.951859 (E_RNA)
where:
Base-Base interactions energy: -1058.200
where: short stacking energy: -466.981
Base-Backbone interact. energy: -1.454
local terms energy: -557.298224
where:
bonds (distance) C4'-P energy: -116.126
bonds (distance) P-C4' energy: -127.270
flat angles C4'-P-C4' energy: -127.194
flat angles P-C4'-P energy: -78.440
tors. eta vs tors. theta energy: -108.268
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: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1331.864828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.864828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.864828 (E_RNA)
where:
Base-Base interactions energy: -831.445
where: short stacking energy: -388.425
Base-Backbone interact. energy: -2.005
local terms energy: -498.414421
where:
bonds (distance) C4'-P energy: -100.526
bonds (distance) P-C4' energy: -124.501
flat angles C4'-P-C4' energy: -119.685
flat angles P-C4'-P energy: -84.097
tors. eta vs tors. theta energy: -69.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1035.105478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.105478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.105478 (E_RNA)
where:
Base-Base interactions energy: -578.746
where: short stacking energy: -311.693
Base-Backbone interact. energy: 4.306
local terms energy: -460.665824
where:
bonds (distance) C4'-P energy: -115.923
bonds (distance) P-C4' energy: -101.370
flat angles C4'-P-C4' energy: -110.378
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: -61.949
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: 152
Temperature: 1.300000
Total energy: -887.363808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.363808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.363808 (E_RNA)
where:
Base-Base interactions energy: -495.602
where: short stacking energy: -249.862
Base-Backbone interact. energy: 11.373
local terms energy: -403.134042
where:
bonds (distance) C4'-P energy: -91.366
bonds (distance) P-C4' energy: -113.281
flat angles C4'-P-C4' energy: -105.227
flat angles P-C4'-P energy: -60.253
tors. eta vs tors. theta energy: -33.008
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: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -865.115164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.115164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.115164 (E_RNA)
where:
Base-Base interactions energy: -471.740
where: short stacking energy: -235.965
Base-Backbone interact. energy: 6.151
local terms energy: -399.526051
where:
bonds (distance) C4'-P energy: -116.406
bonds (distance) P-C4' energy: -112.022
flat angles C4'-P-C4' energy: -84.647
flat angles P-C4'-P energy: -56.407
tors. eta vs tors. theta energy: -30.045
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: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2207.854094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.854094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.854094 (E_RNA)
where:
Base-Base interactions energy: -1505.621
where: short stacking energy: -655.644
Base-Backbone interact. energy: -0.971
local terms energy: -701.261518
where:
bonds (distance) C4'-P energy: -128.705
bonds (distance) P-C4' energy: -128.968
flat angles C4'-P-C4' energy: -145.771
flat angles P-C4'-P energy: -103.502
tors. eta vs tors. theta energy: -194.316
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: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2151.911204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.911204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.911204 (E_RNA)
where:
Base-Base interactions energy: -1465.837
where: short stacking energy: -589.895
Base-Backbone interact. energy: -4.679
local terms energy: -681.395330
where:
bonds (distance) C4'-P energy: -135.754
bonds (distance) P-C4' energy: -138.206
flat angles C4'-P-C4' energy: -133.536
flat angles P-C4'-P energy: -102.775
tors. eta vs tors. theta energy: -171.124
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: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2025.886333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.886333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.886333 (E_RNA)
where:
Base-Base interactions energy: -1359.461
where: short stacking energy: -602.092
Base-Backbone interact. energy: -2.842
local terms energy: -663.583695
where:
bonds (distance) C4'-P energy: -124.955
bonds (distance) P-C4' energy: -116.015
flat angles C4'-P-C4' energy: -147.834
flat angles P-C4'-P energy: -97.696
tors. eta vs tors. theta energy: -177.084
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: 9
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2016.815585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.815585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.815585 (E_RNA)
where:
Base-Base interactions energy: -1366.588
where: short stacking energy: -617.213
Base-Backbone interact. energy: 1.148
local terms energy: -651.374904
where:
bonds (distance) C4'-P energy: -122.740
bonds (distance) P-C4' energy: -119.297
flat angles C4'-P-C4' energy: -145.951
flat angles P-C4'-P energy: -86.335
tors. eta vs tors. theta energy: -177.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1837.318018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.318018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.318018 (E_RNA)
where:
Base-Base interactions energy: -1213.866
where: short stacking energy: -514.355
Base-Backbone interact. energy: -2.879
local terms energy: -620.573498
where:
bonds (distance) C4'-P energy: -130.065
bonds (distance) P-C4' energy: -111.076
flat angles C4'-P-C4' energy: -133.252
flat angles P-C4'-P energy: -90.105
tors. eta vs tors. theta energy: -156.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1680.427557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.427557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.427557 (E_RNA)
where:
Base-Base interactions energy: -1138.292
where: short stacking energy: -481.421
Base-Backbone interact. energy: 5.174
local terms energy: -547.309988
where:
bonds (distance) C4'-P energy: -110.546
bonds (distance) P-C4' energy: -94.448
flat angles C4'-P-C4' energy: -130.664
flat angles P-C4'-P energy: -80.568
tors. eta vs tors. theta energy: -131.084
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: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1341.182967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.182967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.182967 (E_RNA)
where:
Base-Base interactions energy: -826.001
where: short stacking energy: -377.639
Base-Backbone interact. energy: 3.017
local terms energy: -518.198864
where:
bonds (distance) C4'-P energy: -124.724
bonds (distance) P-C4' energy: -136.461
flat angles C4'-P-C4' energy: -108.485
flat angles P-C4'-P energy: -73.569
tors. eta vs tors. theta energy: -74.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1061.669964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.669964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.669964 (E_RNA)
where:
Base-Base interactions energy: -619.106
where: short stacking energy: -307.546
Base-Backbone interact. energy: -1.039
local terms energy: -441.524503
where:
bonds (distance) C4'-P energy: -104.312
bonds (distance) P-C4' energy: -121.360
flat angles C4'-P-C4' energy: -108.101
flat angles P-C4'-P energy: -53.011
tors. eta vs tors. theta energy: -54.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -919.180203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.180203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.180203 (E_RNA)
where:
Base-Base interactions energy: -510.089
where: short stacking energy: -254.024
Base-Backbone interact. energy: 1.516
local terms energy: -410.607304
where:
bonds (distance) C4'-P energy: -113.700
bonds (distance) P-C4' energy: -93.841
flat angles C4'-P-C4' energy: -103.722
flat angles P-C4'-P energy: -79.967
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -865.895499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.895499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.895499 (E_RNA)
where:
Base-Base interactions energy: -493.989
where: short stacking energy: -234.997
Base-Backbone interact. energy: -2.846
local terms energy: -369.060632
where:
bonds (distance) C4'-P energy: -101.092
bonds (distance) P-C4' energy: -116.099
flat angles C4'-P-C4' energy: -73.800
flat angles P-C4'-P energy: -54.540
tors. eta vs tors. theta energy: -23.529
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: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2224.680276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.680276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.680276 (E_RNA)
where:
Base-Base interactions energy: -1501.669
where: short stacking energy: -654.816
Base-Backbone interact. energy: -2.669
local terms energy: -720.342337
where:
bonds (distance) C4'-P energy: -135.035
bonds (distance) P-C4' energy: -142.513
flat angles C4'-P-C4' energy: -152.593
flat angles P-C4'-P energy: -103.974
tors. eta vs tors. theta energy: -186.227
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: 154
Temperature: 0.950000
Total energy: -2160.263590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.263590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.263590 (E_RNA)
where:
Base-Base interactions energy: -1501.859
where: short stacking energy: -607.756
Base-Backbone interact. energy: -2.657
local terms energy: -655.747931
where:
bonds (distance) C4'-P energy: -133.093
bonds (distance) P-C4' energy: -135.499
flat angles C4'-P-C4' energy: -139.092
flat angles P-C4'-P energy: -83.951
tors. eta vs tors. theta energy: -164.113
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: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2066.609461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.609461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.609461 (E_RNA)
where:
Base-Base interactions energy: -1369.407
where: short stacking energy: -605.091
Base-Backbone interact. energy: -1.764
local terms energy: -695.439269
where:
bonds (distance) C4'-P energy: -124.644
bonds (distance) P-C4' energy: -133.413
flat angles C4'-P-C4' energy: -152.506
flat angles P-C4'-P energy: -94.625
tors. eta vs tors. theta energy: -190.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2011.289812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.289812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.289812 (E_RNA)
where:
Base-Base interactions energy: -1364.379
where: short stacking energy: -615.973
Base-Backbone interact. energy: -0.581
local terms energy: -646.329391
where:
bonds (distance) C4'-P energy: -112.791
bonds (distance) P-C4' energy: -123.320
flat angles C4'-P-C4' energy: -147.701
flat angles P-C4'-P energy: -73.456
tors. eta vs tors. theta energy: -189.061
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: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1770.198423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.198423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.198423 (E_RNA)
where:
Base-Base interactions energy: -1179.509
where: short stacking energy: -539.010
Base-Backbone interact. energy: -3.063
local terms energy: -587.625766
where:
bonds (distance) C4'-P energy: -98.200
bonds (distance) P-C4' energy: -122.862
flat angles C4'-P-C4' energy: -129.072
flat angles P-C4'-P energy: -101.882
tors. eta vs tors. theta energy: -135.610
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: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1747.069458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.069458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.069458 (E_RNA)
where:
Base-Base interactions energy: -1192.393
where: short stacking energy: -522.780
Base-Backbone interact. energy: 0.648
local terms energy: -555.324731
where:
bonds (distance) C4'-P energy: -96.006
bonds (distance) P-C4' energy: -105.242
flat angles C4'-P-C4' energy: -127.531
flat angles P-C4'-P energy: -84.249
tors. eta vs tors. theta energy: -142.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1319.963540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.963540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.963540 (E_RNA)
where:
Base-Base interactions energy: -809.563
where: short stacking energy: -395.711
Base-Backbone interact. energy: -1.460
local terms energy: -508.941089
where:
bonds (distance) C4'-P energy: -95.646
bonds (distance) P-C4' energy: -122.919
flat angles C4'-P-C4' energy: -115.489
flat angles P-C4'-P energy: -86.673
tors. eta vs tors. theta energy: -88.214
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: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1013.062477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.062477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.062477 (E_RNA)
where:
Base-Base interactions energy: -595.060
where: short stacking energy: -313.680
Base-Backbone interact. energy: -0.432
local terms energy: -417.571036
where:
bonds (distance) C4'-P energy: -108.989
bonds (distance) P-C4' energy: -116.760
flat angles C4'-P-C4' energy: -108.464
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: -34.540
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: 154
Temperature: 1.300000
Total energy: -950.975346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.975346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.975346 (E_RNA)
where:
Base-Base interactions energy: -559.877
where: short stacking energy: -251.026
Base-Backbone interact. energy: 1.307
local terms energy: -392.406300
where:
bonds (distance) C4'-P energy: -108.747
bonds (distance) P-C4' energy: -101.011
flat angles C4'-P-C4' energy: -108.113
flat angles P-C4'-P energy: -61.444
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -915.756993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.756993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.756993 (E_RNA)
where:
Base-Base interactions energy: -493.157
where: short stacking energy: -255.069
Base-Backbone interact. energy: -2.408
local terms energy: -420.192152
where:
bonds (distance) C4'-P energy: -110.785
bonds (distance) P-C4' energy: -126.699
flat angles C4'-P-C4' energy: -99.283
flat angles P-C4'-P energy: -65.183
tors. eta vs tors. theta energy: -18.242
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: 155
Temperature: 0.900000
Total energy: -2177.915292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.915292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.915292 (E_RNA)
where:
Base-Base interactions energy: -1496.030
where: short stacking energy: -649.442
Base-Backbone interact. energy: -3.801
local terms energy: -678.083706
where:
bonds (distance) C4'-P energy: -120.910
bonds (distance) P-C4' energy: -134.066
flat angles C4'-P-C4' energy: -145.580
flat angles P-C4'-P energy: -93.202
tors. eta vs tors. theta energy: -184.324
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: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2157.764706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.764706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.764706 (E_RNA)
where:
Base-Base interactions energy: -1480.394
where: short stacking energy: -616.916
Base-Backbone interact. energy: -1.373
local terms energy: -675.998333
where:
bonds (distance) C4'-P energy: -127.048
bonds (distance) P-C4' energy: -136.400
flat angles C4'-P-C4' energy: -148.869
flat angles P-C4'-P energy: -82.850
tors. eta vs tors. theta energy: -180.831
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: 155
Temperature: 1.000000
Total energy: -2108.540507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.540507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.540507 (E_RNA)
where:
Base-Base interactions energy: -1415.937
where: short stacking energy: -617.864
Base-Backbone interact. energy: -1.352
local terms energy: -691.251852
where:
bonds (distance) C4'-P energy: -126.094
bonds (distance) P-C4' energy: -130.829
flat angles C4'-P-C4' energy: -149.064
flat angles P-C4'-P energy: -98.213
tors. eta vs tors. theta energy: -187.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2015.300019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.300019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.300019 (E_RNA)
where:
Base-Base interactions energy: -1364.224
where: short stacking energy: -595.202
Base-Backbone interact. energy: -1.274
local terms energy: -649.801522
where:
bonds (distance) C4'-P energy: -120.805
bonds (distance) P-C4' energy: -123.927
flat angles C4'-P-C4' energy: -140.157
flat angles P-C4'-P energy: -84.063
tors. eta vs tors. theta energy: -180.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1722.561034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.561034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.561034 (E_RNA)
where:
Base-Base interactions energy: -1128.419
where: short stacking energy: -518.602
Base-Backbone interact. energy: -1.035
local terms energy: -593.107532
where:
bonds (distance) C4'-P energy: -125.190
bonds (distance) P-C4' energy: -112.394
flat angles C4'-P-C4' energy: -130.880
flat angles P-C4'-P energy: -93.858
tors. eta vs tors. theta energy: -130.786
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: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1708.556302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.556302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.556302 (E_RNA)
where:
Base-Base interactions energy: -1142.381
where: short stacking energy: -485.984
Base-Backbone interact. energy: 1.407
local terms energy: -567.582210
where:
bonds (distance) C4'-P energy: -105.243
bonds (distance) P-C4' energy: -120.582
flat angles C4'-P-C4' energy: -126.599
flat angles P-C4'-P energy: -91.601
tors. eta vs tors. theta energy: -123.557
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: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1259.892545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.892545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.892545 (E_RNA)
where:
Base-Base interactions energy: -798.672
where: short stacking energy: -374.153
Base-Backbone interact. energy: -1.381
local terms energy: -459.840027
where:
bonds (distance) C4'-P energy: -102.257
bonds (distance) P-C4' energy: -100.896
flat angles C4'-P-C4' energy: -121.605
flat angles P-C4'-P energy: -63.315
tors. eta vs tors. theta energy: -71.767
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: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1033.052347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.052347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.052347 (E_RNA)
where:
Base-Base interactions energy: -591.617
where: short stacking energy: -286.406
Base-Backbone interact. energy: 3.192
local terms energy: -444.627462
where:
bonds (distance) C4'-P energy: -116.181
bonds (distance) P-C4' energy: -127.700
flat angles C4'-P-C4' energy: -106.345
flat angles P-C4'-P energy: -65.424
tors. eta vs tors. theta energy: -28.979
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: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -921.861987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.861987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.861987 (E_RNA)
where:
Base-Base interactions energy: -524.525
where: short stacking energy: -266.617
Base-Backbone interact. energy: -0.501
local terms energy: -396.835656
where:
bonds (distance) C4'-P energy: -87.789
bonds (distance) P-C4' energy: -128.900
flat angles C4'-P-C4' energy: -85.773
flat angles P-C4'-P energy: -66.665
tors. eta vs tors. theta energy: -27.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -879.448752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.448752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.448752 (E_RNA)
where:
Base-Base interactions energy: -511.381
where: short stacking energy: -243.211
Base-Backbone interact. energy: 4.943
local terms energy: -373.011341
where:
bonds (distance) C4'-P energy: -96.136
bonds (distance) P-C4' energy: -105.824
flat angles C4'-P-C4' energy: -98.619
flat angles P-C4'-P energy: -59.885
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: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2193.413968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.413968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.413968 (E_RNA)
where:
Base-Base interactions energy: -1493.625
where: short stacking energy: -655.963
Base-Backbone interact. energy: 0.220
local terms energy: -700.008798
where:
bonds (distance) C4'-P energy: -133.315
bonds (distance) P-C4' energy: -132.687
flat angles C4'-P-C4' energy: -149.190
flat angles P-C4'-P energy: -96.478
tors. eta vs tors. theta energy: -188.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2170.343322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.343322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.343322 (E_RNA)
where:
Base-Base interactions energy: -1489.547
where: short stacking energy: -616.219
Base-Backbone interact. energy: -0.186
local terms energy: -680.609641
where:
bonds (distance) C4'-P energy: -132.339
bonds (distance) P-C4' energy: -126.726
flat angles C4'-P-C4' energy: -147.245
flat angles P-C4'-P energy: -93.952
tors. eta vs tors. theta energy: -180.347
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: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2060.393990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.393990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.393990 (E_RNA)
where:
Base-Base interactions energy: -1388.543
where: short stacking energy: -598.569
Base-Backbone interact. energy: -1.121
local terms energy: -670.730558
where:
bonds (distance) C4'-P energy: -132.470
bonds (distance) P-C4' energy: -123.924
flat angles C4'-P-C4' energy: -149.074
flat angles P-C4'-P energy: -85.614
tors. eta vs tors. theta energy: -179.648
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: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2023.527585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.527585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.527585 (E_RNA)
where:
Base-Base interactions energy: -1374.445
where: short stacking energy: -591.471
Base-Backbone interact. energy: -2.582
local terms energy: -646.500866
where:
bonds (distance) C4'-P energy: -104.856
bonds (distance) P-C4' energy: -126.622
flat angles C4'-P-C4' energy: -143.163
flat angles P-C4'-P energy: -96.806
tors. eta vs tors. theta energy: -175.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1792.487643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.487643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.487643 (E_RNA)
where:
Base-Base interactions energy: -1200.968
where: short stacking energy: -528.966
Base-Backbone interact. energy: -0.164
local terms energy: -591.355067
where:
bonds (distance) C4'-P energy: -111.874
bonds (distance) P-C4' energy: -116.979
flat angles C4'-P-C4' energy: -139.467
flat angles P-C4'-P energy: -79.171
tors. eta vs tors. theta energy: -143.865
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: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1596.318068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.318068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.318068 (E_RNA)
where:
Base-Base interactions energy: -1063.446
where: short stacking energy: -447.926
Base-Backbone interact. energy: -0.932
local terms energy: -531.939972
where:
bonds (distance) C4'-P energy: -107.648
bonds (distance) P-C4' energy: -121.224
flat angles C4'-P-C4' energy: -119.291
flat angles P-C4'-P energy: -87.651
tors. eta vs tors. theta energy: -96.126
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: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1283.662246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.662246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.662246 (E_RNA)
where:
Base-Base interactions energy: -763.429
where: short stacking energy: -356.944
Base-Backbone interact. energy: 0.620
local terms energy: -520.852991
where:
bonds (distance) C4'-P energy: -101.136
bonds (distance) P-C4' energy: -116.006
flat angles C4'-P-C4' energy: -137.153
flat angles P-C4'-P energy: -90.569
tors. eta vs tors. theta energy: -75.989
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: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1066.682262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.682262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.682262 (E_RNA)
where:
Base-Base interactions energy: -640.026
where: short stacking energy: -337.495
Base-Backbone interact. energy: 2.431
local terms energy: -429.087766
where:
bonds (distance) C4'-P energy: -104.265
bonds (distance) P-C4' energy: -133.089
flat angles C4'-P-C4' energy: -102.276
flat angles P-C4'-P energy: -41.879
tors. eta vs tors. theta energy: -47.580
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: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -872.336681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.336681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.336681 (E_RNA)
where:
Base-Base interactions energy: -487.322
where: short stacking energy: -229.830
Base-Backbone interact. energy: -1.203
local terms energy: -383.811062
where:
bonds (distance) C4'-P energy: -124.652
bonds (distance) P-C4' energy: -104.315
flat angles C4'-P-C4' energy: -98.425
flat angles P-C4'-P energy: -63.508
tors. eta vs tors. theta energy: 7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -868.282256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.282256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.282256 (E_RNA)
where:
Base-Base interactions energy: -473.750
where: short stacking energy: -242.116
Base-Backbone interact. energy: -3.153
local terms energy: -391.379323
where:
bonds (distance) C4'-P energy: -98.738
bonds (distance) P-C4' energy: -108.075
flat angles C4'-P-C4' energy: -115.659
flat angles P-C4'-P energy: -54.425
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2260.464521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.464521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.464521 (E_RNA)
where:
Base-Base interactions energy: -1531.746
where: short stacking energy: -667.325
Base-Backbone interact. energy: -0.004
local terms energy: -728.714364
where:
bonds (distance) C4'-P energy: -134.119
bonds (distance) P-C4' energy: -134.742
flat angles C4'-P-C4' energy: -145.849
flat angles P-C4'-P energy: -108.021
tors. eta vs tors. theta energy: -205.984
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: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2153.606620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.606620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.606620 (E_RNA)
where:
Base-Base interactions energy: -1485.080
where: short stacking energy: -619.212
Base-Backbone interact. energy: -3.877
local terms energy: -664.650453
where:
bonds (distance) C4'-P energy: -130.923
bonds (distance) P-C4' energy: -130.889
flat angles C4'-P-C4' energy: -135.112
flat angles P-C4'-P energy: -98.324
tors. eta vs tors. theta energy: -169.403
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: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2084.250135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.250135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.250135 (E_RNA)
where:
Base-Base interactions energy: -1389.418
where: short stacking energy: -637.371
Base-Backbone interact. energy: -0.399
local terms energy: -694.433758
where:
bonds (distance) C4'-P energy: -120.653
bonds (distance) P-C4' energy: -128.230
flat angles C4'-P-C4' energy: -150.081
flat angles P-C4'-P energy: -102.493
tors. eta vs tors. theta energy: -192.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2037.612761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.612761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.612761 (E_RNA)
where:
Base-Base interactions energy: -1389.134
where: short stacking energy: -619.097
Base-Backbone interact. energy: 0.141
local terms energy: -648.620126
where:
bonds (distance) C4'-P energy: -129.727
bonds (distance) P-C4' energy: -120.979
flat angles C4'-P-C4' energy: -141.765
flat angles P-C4'-P energy: -87.353
tors. eta vs tors. theta energy: -168.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1784.146835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.146835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.146835 (E_RNA)
where:
Base-Base interactions energy: -1189.814
where: short stacking energy: -517.449
Base-Backbone interact. energy: -0.946
local terms energy: -593.386876
where:
bonds (distance) C4'-P energy: -117.191
bonds (distance) P-C4' energy: -119.926
flat angles C4'-P-C4' energy: -141.776
flat angles P-C4'-P energy: -81.437
tors. eta vs tors. theta energy: -133.057
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: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1626.750114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.750114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.750114 (E_RNA)
where:
Base-Base interactions energy: -1052.282
where: short stacking energy: -477.970
Base-Backbone interact. energy: -2.811
local terms energy: -571.657319
where:
bonds (distance) C4'-P energy: -107.330
bonds (distance) P-C4' energy: -134.141
flat angles C4'-P-C4' energy: -123.341
flat angles P-C4'-P energy: -84.366
tors. eta vs tors. theta energy: -122.480
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: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1308.817426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.817426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.817426 (E_RNA)
where:
Base-Base interactions energy: -797.211
where: short stacking energy: -384.794
Base-Backbone interact. energy: 0.005
local terms energy: -511.611820
where:
bonds (distance) C4'-P energy: -115.882
bonds (distance) P-C4' energy: -115.916
flat angles C4'-P-C4' energy: -123.886
flat angles P-C4'-P energy: -85.472
tors. eta vs tors. theta energy: -70.456
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: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1086.484741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.484741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.484741 (E_RNA)
where:
Base-Base interactions energy: -621.658
where: short stacking energy: -321.186
Base-Backbone interact. energy: -0.495
local terms energy: -464.332241
where:
bonds (distance) C4'-P energy: -105.760
bonds (distance) P-C4' energy: -127.278
flat angles C4'-P-C4' energy: -114.901
flat angles P-C4'-P energy: -66.527
tors. eta vs tors. theta energy: -49.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -873.777857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.777857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.777857 (E_RNA)
where:
Base-Base interactions energy: -445.610
where: short stacking energy: -234.489
Base-Backbone interact. energy: 4.180
local terms energy: -432.348159
where:
bonds (distance) C4'-P energy: -102.958
bonds (distance) P-C4' energy: -122.590
flat angles C4'-P-C4' energy: -110.241
flat angles P-C4'-P energy: -77.381
tors. eta vs tors. theta energy: -19.177
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: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -874.475830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.475830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.475830 (E_RNA)
where:
Base-Base interactions energy: -485.652
where: short stacking energy: -246.044
Base-Backbone interact. energy: 7.025
local terms energy: -395.848843
where:
bonds (distance) C4'-P energy: -96.211
bonds (distance) P-C4' energy: -124.528
flat angles C4'-P-C4' energy: -94.942
flat angles P-C4'-P energy: -60.802
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2226.179385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.179385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.179385 (E_RNA)
where:
Base-Base interactions energy: -1493.069
where: short stacking energy: -649.261
Base-Backbone interact. energy: -3.146
local terms energy: -729.965128
where:
bonds (distance) C4'-P energy: -132.962
bonds (distance) P-C4' energy: -140.062
flat angles C4'-P-C4' energy: -166.915
flat angles P-C4'-P energy: -96.476
tors. eta vs tors. theta energy: -193.550
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: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2152.555873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.555873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.555873 (E_RNA)
where:
Base-Base interactions energy: -1473.158
where: short stacking energy: -591.751
Base-Backbone interact. energy: -4.927
local terms energy: -674.470552
where:
bonds (distance) C4'-P energy: -140.298
bonds (distance) P-C4' energy: -133.627
flat angles C4'-P-C4' energy: -141.438
flat angles P-C4'-P energy: -103.283
tors. eta vs tors. theta energy: -155.824
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: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2084.041204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.041204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.041204 (E_RNA)
where:
Base-Base interactions energy: -1399.599
where: short stacking energy: -621.056
Base-Backbone interact. energy: -1.375
local terms energy: -683.066394
where:
bonds (distance) C4'-P energy: -108.575
bonds (distance) P-C4' energy: -131.911
flat angles C4'-P-C4' energy: -147.352
flat angles P-C4'-P energy: -108.087
tors. eta vs tors. theta energy: -187.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2007.339881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.339881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.339881 (E_RNA)
where:
Base-Base interactions energy: -1384.105
where: short stacking energy: -585.077
Base-Backbone interact. energy: -2.102
local terms energy: -621.133285
where:
bonds (distance) C4'-P energy: -100.271
bonds (distance) P-C4' energy: -123.101
flat angles C4'-P-C4' energy: -143.481
flat angles P-C4'-P energy: -81.965
tors. eta vs tors. theta energy: -172.315
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: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1764.354038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.354038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.354038 (E_RNA)
where:
Base-Base interactions energy: -1175.383
where: short stacking energy: -523.877
Base-Backbone interact. energy: -2.380
local terms energy: -586.591399
where:
bonds (distance) C4'-P energy: -115.867
bonds (distance) P-C4' energy: -116.580
flat angles C4'-P-C4' energy: -132.359
flat angles P-C4'-P energy: -82.570
tors. eta vs tors. theta energy: -139.216
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: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1658.114892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.114892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.114892 (E_RNA)
where:
Base-Base interactions energy: -1106.991
where: short stacking energy: -485.250
Base-Backbone interact. energy: -2.687
local terms energy: -548.436943
where:
bonds (distance) C4'-P energy: -115.977
bonds (distance) P-C4' energy: -114.412
flat angles C4'-P-C4' energy: -118.269
flat angles P-C4'-P energy: -75.915
tors. eta vs tors. theta energy: -123.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1310.696541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.696541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.696541 (E_RNA)
where:
Base-Base interactions energy: -840.427
where: short stacking energy: -383.898
Base-Backbone interact. energy: -3.381
local terms energy: -466.888524
where:
bonds (distance) C4'-P energy: -116.293
bonds (distance) P-C4' energy: -107.139
flat angles C4'-P-C4' energy: -105.381
flat angles P-C4'-P energy: -71.174
tors. eta vs tors. theta energy: -66.902
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: 158
Temperature: 1.250000
Total energy: -1158.169623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.169623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.169623 (E_RNA)
where:
Base-Base interactions energy: -729.666
where: short stacking energy: -352.309
Base-Backbone interact. energy: -1.426
local terms energy: -427.076718
where:
bonds (distance) C4'-P energy: -102.224
bonds (distance) P-C4' energy: -90.566
flat angles C4'-P-C4' energy: -100.597
flat angles P-C4'-P energy: -69.763
tors. eta vs tors. theta energy: -63.927
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: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -932.204545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.204545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.204545 (E_RNA)
where:
Base-Base interactions energy: -517.014
where: short stacking energy: -262.200
Base-Backbone interact. energy: 3.176
local terms energy: -418.366564
where:
bonds (distance) C4'-P energy: -89.741
bonds (distance) P-C4' energy: -119.926
flat angles C4'-P-C4' energy: -109.152
flat angles P-C4'-P energy: -60.232
tors. eta vs tors. theta energy: -39.316
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: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -869.709235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.709235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.709235 (E_RNA)
where:
Base-Base interactions energy: -458.767
where: short stacking energy: -197.943
Base-Backbone interact. energy: -2.855
local terms energy: -408.087860
where:
bonds (distance) C4'-P energy: -98.347
bonds (distance) P-C4' energy: -127.454
flat angles C4'-P-C4' energy: -112.997
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -11.357
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: 159
Temperature: 0.900000
Total energy: -2232.654157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.654157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.654157 (E_RNA)
where:
Base-Base interactions energy: -1509.587
where: short stacking energy: -667.597
Base-Backbone interact. energy: -3.124
local terms energy: -719.943642
where:
bonds (distance) C4'-P energy: -127.432
bonds (distance) P-C4' energy: -150.328
flat angles C4'-P-C4' energy: -147.813
flat angles P-C4'-P energy: -99.147
tors. eta vs tors. theta energy: -195.223
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: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2146.977079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.977079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.977079 (E_RNA)
where:
Base-Base interactions energy: -1506.868
where: short stacking energy: -630.394
Base-Backbone interact. energy: -0.015
local terms energy: -640.093994
where:
bonds (distance) C4'-P energy: -116.004
bonds (distance) P-C4' energy: -120.319
flat angles C4'-P-C4' energy: -143.264
flat angles P-C4'-P energy: -86.426
tors. eta vs tors. theta energy: -174.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2087.018544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.018544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.018544 (E_RNA)
where:
Base-Base interactions energy: -1425.748
where: short stacking energy: -630.496
Base-Backbone interact. energy: 0.500
local terms energy: -661.770951
where:
bonds (distance) C4'-P energy: -121.345
bonds (distance) P-C4' energy: -123.052
flat angles C4'-P-C4' energy: -141.993
flat angles P-C4'-P energy: -88.537
tors. eta vs tors. theta energy: -186.844
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: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1995.438915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.438915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.438915 (E_RNA)
where:
Base-Base interactions energy: -1337.984
where: short stacking energy: -609.430
Base-Backbone interact. energy: -1.333
local terms energy: -656.122354
where:
bonds (distance) C4'-P energy: -105.702
bonds (distance) P-C4' energy: -116.670
flat angles C4'-P-C4' energy: -153.429
flat angles P-C4'-P energy: -102.840
tors. eta vs tors. theta energy: -177.480
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: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1725.154344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.154344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.154344 (E_RNA)
where:
Base-Base interactions energy: -1150.633
where: short stacking energy: -500.574
Base-Backbone interact. energy: 1.780
local terms energy: -576.300580
where:
bonds (distance) C4'-P energy: -107.512
bonds (distance) P-C4' energy: -133.146
flat angles C4'-P-C4' energy: -130.079
flat angles P-C4'-P energy: -71.542
tors. eta vs tors. theta energy: -134.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1654.739673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.739673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.739673 (E_RNA)
where:
Base-Base interactions energy: -1085.402
where: short stacking energy: -501.578
Base-Backbone interact. energy: -0.254
local terms energy: -569.083968
where:
bonds (distance) C4'-P energy: -114.004
bonds (distance) P-C4' energy: -121.337
flat angles C4'-P-C4' energy: -122.486
flat angles P-C4'-P energy: -72.347
tors. eta vs tors. theta energy: -138.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1472.358982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.358982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.358982 (E_RNA)
where:
Base-Base interactions energy: -958.772
where: short stacking energy: -418.442
Base-Backbone interact. energy: 2.696
local terms energy: -516.283615
where:
bonds (distance) C4'-P energy: -102.868
bonds (distance) P-C4' energy: -112.731
flat angles C4'-P-C4' energy: -113.848
flat angles P-C4'-P energy: -88.017
tors. eta vs tors. theta energy: -98.821
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: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1140.100587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.100587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.100587 (E_RNA)
where:
Base-Base interactions energy: -715.257
where: short stacking energy: -333.121
Base-Backbone interact. energy: 6.766
local terms energy: -431.609098
where:
bonds (distance) C4'-P energy: -100.070
bonds (distance) P-C4' energy: -104.119
flat angles C4'-P-C4' energy: -119.582
flat angles P-C4'-P energy: -59.938
tors. eta vs tors. theta energy: -47.901
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: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -924.534508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.534508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.534508 (E_RNA)
where:
Base-Base interactions energy: -528.936
where: short stacking energy: -271.159
Base-Backbone interact. energy: -0.575
local terms energy: -395.023535
where:
bonds (distance) C4'-P energy: -98.219
bonds (distance) P-C4' energy: -92.494
flat angles C4'-P-C4' energy: -105.281
flat angles P-C4'-P energy: -56.336
tors. eta vs tors. theta energy: -42.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -851.211923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.211923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.211923 (E_RNA)
where:
Base-Base interactions energy: -476.512
where: short stacking energy: -251.820
Base-Backbone interact. energy: 0.915
local terms energy: -375.615362
where:
bonds (distance) C4'-P energy: -70.756
bonds (distance) P-C4' energy: -99.532
flat angles C4'-P-C4' energy: -109.457
flat angles P-C4'-P energy: -62.950
tors. eta vs tors. theta energy: -32.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2206.340190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.340190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.340190 (E_RNA)
where:
Base-Base interactions energy: -1516.795
where: short stacking energy: -656.626
Base-Backbone interact. energy: -0.803
local terms energy: -688.742806
where:
bonds (distance) C4'-P energy: -110.882
bonds (distance) P-C4' energy: -141.194
flat angles C4'-P-C4' energy: -146.459
flat angles P-C4'-P energy: -98.984
tors. eta vs tors. theta energy: -191.223
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: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2139.625028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.625028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.625028 (E_RNA)
where:
Base-Base interactions energy: -1473.101
where: short stacking energy: -604.091
Base-Backbone interact. energy: -0.570
local terms energy: -665.953184
where:
bonds (distance) C4'-P energy: -129.072
bonds (distance) P-C4' energy: -120.468
flat angles C4'-P-C4' energy: -143.553
flat angles P-C4'-P energy: -112.660
tors. eta vs tors. theta energy: -160.201
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: 160
Temperature: 1.000000
Total energy: -2093.611831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.611831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.611831 (E_RNA)
where:
Base-Base interactions energy: -1427.562
where: short stacking energy: -632.835
Base-Backbone interact. energy: 3.673
local terms energy: -669.722918
where:
bonds (distance) C4'-P energy: -138.752
bonds (distance) P-C4' energy: -116.945
flat angles C4'-P-C4' energy: -140.441
flat angles P-C4'-P energy: -82.789
tors. eta vs tors. theta energy: -190.796
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: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1991.704443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.704443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.704443 (E_RNA)
where:
Base-Base interactions energy: -1352.233
where: short stacking energy: -583.612
Base-Backbone interact. energy: -3.697
local terms energy: -635.775166
where:
bonds (distance) C4'-P energy: -121.083
bonds (distance) P-C4' energy: -119.621
flat angles C4'-P-C4' energy: -134.653
flat angles P-C4'-P energy: -93.637
tors. eta vs tors. theta energy: -166.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1750.518775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.518775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.518775 (E_RNA)
where:
Base-Base interactions energy: -1164.185
where: short stacking energy: -510.364
Base-Backbone interact. energy: 6.665
local terms energy: -592.998874
where:
bonds (distance) C4'-P energy: -106.427
bonds (distance) P-C4' energy: -139.123
flat angles C4'-P-C4' energy: -131.215
flat angles P-C4'-P energy: -95.244
tors. eta vs tors. theta energy: -120.990
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: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1656.306613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.306613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.306613 (E_RNA)
where:
Base-Base interactions energy: -1082.854
where: short stacking energy: -475.808
Base-Backbone interact. energy: 2.257
local terms energy: -575.709065
where:
bonds (distance) C4'-P energy: -118.458
bonds (distance) P-C4' energy: -126.826
flat angles C4'-P-C4' energy: -122.760
flat angles P-C4'-P energy: -76.451
tors. eta vs tors. theta energy: -131.214
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: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1422.320256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.320256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.320256 (E_RNA)
where:
Base-Base interactions energy: -900.869
where: short stacking energy: -407.092
Base-Backbone interact. energy: -2.009
local terms energy: -519.442251
where:
bonds (distance) C4'-P energy: -103.909
bonds (distance) P-C4' energy: -115.441
flat angles C4'-P-C4' energy: -122.189
flat angles P-C4'-P energy: -80.496
tors. eta vs tors. theta energy: -97.407
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: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1119.754140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.754140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.754140 (E_RNA)
where:
Base-Base interactions energy: -679.076
where: short stacking energy: -311.520
Base-Backbone interact. energy: -0.259
local terms energy: -440.418819
where:
bonds (distance) C4'-P energy: -121.740
bonds (distance) P-C4' energy: -119.084
flat angles C4'-P-C4' energy: -113.082
flat angles P-C4'-P energy: -48.397
tors. eta vs tors. theta energy: -38.117
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: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -918.066652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.066652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.066652 (E_RNA)
where:
Base-Base interactions energy: -531.015
where: short stacking energy: -254.153
Base-Backbone interact. energy: -0.737
local terms energy: -386.314623
where:
bonds (distance) C4'-P energy: -92.259
bonds (distance) P-C4' energy: -86.053
flat angles C4'-P-C4' energy: -115.993
flat angles P-C4'-P energy: -70.230
tors. eta vs tors. theta energy: -21.779
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: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -781.992451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.992451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.992451 (E_RNA)
where:
Base-Base interactions energy: -451.185
where: short stacking energy: -242.143
Base-Backbone interact. energy: 3.302
local terms energy: -334.109747
where:
bonds (distance) C4'-P energy: -103.745
bonds (distance) P-C4' energy: -93.218
flat angles C4'-P-C4' energy: -76.514
flat angles P-C4'-P energy: -54.253
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2220.721500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.721500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.721500 (E_RNA)
where:
Base-Base interactions energy: -1511.891
where: short stacking energy: -647.210
Base-Backbone interact. energy: -3.450
local terms energy: -705.381166
where:
bonds (distance) C4'-P energy: -119.422
bonds (distance) P-C4' energy: -143.009
flat angles C4'-P-C4' energy: -153.368
flat angles P-C4'-P energy: -106.212
tors. eta vs tors. theta energy: -183.370
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: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2179.348357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.348357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.348357 (E_RNA)
where:
Base-Base interactions energy: -1475.402
where: short stacking energy: -664.516
Base-Backbone interact. energy: -3.066
local terms energy: -700.880350
where:
bonds (distance) C4'-P energy: -137.874
bonds (distance) P-C4' energy: -124.880
flat angles C4'-P-C4' energy: -150.795
flat angles P-C4'-P energy: -93.135
tors. eta vs tors. theta energy: -194.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2121.394171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.394171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.394171 (E_RNA)
where:
Base-Base interactions energy: -1502.536
where: short stacking energy: -619.850
Base-Backbone interact. energy: -2.506
local terms energy: -616.352972
where:
bonds (distance) C4'-P energy: -116.851
bonds (distance) P-C4' energy: -120.318
flat angles C4'-P-C4' energy: -125.740
flat angles P-C4'-P energy: -89.866
tors. eta vs tors. theta energy: -163.577
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: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2004.068093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.068093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.068093 (E_RNA)
where:
Base-Base interactions energy: -1342.181
where: short stacking energy: -622.448
Base-Backbone interact. energy: -2.754
local terms energy: -659.132620
where:
bonds (distance) C4'-P energy: -116.847
bonds (distance) P-C4' energy: -124.024
flat angles C4'-P-C4' energy: -136.612
flat angles P-C4'-P energy: -100.069
tors. eta vs tors. theta energy: -181.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1745.292242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.292242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.292242 (E_RNA)
where:
Base-Base interactions energy: -1146.360
where: short stacking energy: -519.374
Base-Backbone interact. energy: -0.309
local terms energy: -598.623246
where:
bonds (distance) C4'-P energy: -114.204
bonds (distance) P-C4' energy: -133.764
flat angles C4'-P-C4' energy: -136.763
flat angles P-C4'-P energy: -81.321
tors. eta vs tors. theta energy: -132.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1655.847722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.847722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.847722 (E_RNA)
where:
Base-Base interactions energy: -1087.008
where: short stacking energy: -496.141
Base-Backbone interact. energy: 4.920
local terms energy: -573.759821
where:
bonds (distance) C4'-P energy: -106.537
bonds (distance) P-C4' energy: -113.353
flat angles C4'-P-C4' energy: -135.073
flat angles P-C4'-P energy: -78.002
tors. eta vs tors. theta energy: -140.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1436.876355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.876355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.876355 (E_RNA)
where:
Base-Base interactions energy: -920.716
where: short stacking energy: -417.104
Base-Backbone interact. energy: -0.582
local terms energy: -515.578749
where:
bonds (distance) C4'-P energy: -110.459
bonds (distance) P-C4' energy: -119.177
flat angles C4'-P-C4' energy: -118.638
flat angles P-C4'-P energy: -59.762
tors. eta vs tors. theta energy: -107.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1173.308975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.308975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.308975 (E_RNA)
where:
Base-Base interactions energy: -679.281
where: short stacking energy: -330.850
Base-Backbone interact. energy: -0.491
local terms energy: -493.536467
where:
bonds (distance) C4'-P energy: -117.846
bonds (distance) P-C4' energy: -124.650
flat angles C4'-P-C4' energy: -105.197
flat angles P-C4'-P energy: -70.744
tors. eta vs tors. theta energy: -75.099
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: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -896.235844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.235844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.235844 (E_RNA)
where:
Base-Base interactions energy: -516.172
where: short stacking energy: -255.295
Base-Backbone interact. energy: -2.575
local terms energy: -377.488194
where:
bonds (distance) C4'-P energy: -98.247
bonds (distance) P-C4' energy: -104.907
flat angles C4'-P-C4' energy: -119.364
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -828.729953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.729953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.729953 (E_RNA)
where:
Base-Base interactions energy: -462.254
where: short stacking energy: -239.215
Base-Backbone interact. energy: -1.156
local terms energy: -365.320431
where:
bonds (distance) C4'-P energy: -103.824
bonds (distance) P-C4' energy: -106.943
flat angles C4'-P-C4' energy: -100.285
flat angles P-C4'-P energy: -51.914
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2190.291482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.291482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.291482 (E_RNA)
where:
Base-Base interactions energy: -1492.554
where: short stacking energy: -644.977
Base-Backbone interact. energy: -1.748
local terms energy: -695.989216
where:
bonds (distance) C4'-P energy: -121.820
bonds (distance) P-C4' energy: -142.599
flat angles C4'-P-C4' energy: -151.613
flat angles P-C4'-P energy: -97.434
tors. eta vs tors. theta energy: -182.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2143.129798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.129798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.129798 (E_RNA)
where:
Base-Base interactions energy: -1451.312
where: short stacking energy: -641.686
Base-Backbone interact. energy: 0.543
local terms energy: -692.361372
where:
bonds (distance) C4'-P energy: -143.700
bonds (distance) P-C4' energy: -126.266
flat angles C4'-P-C4' energy: -138.389
flat angles P-C4'-P energy: -89.271
tors. eta vs tors. theta energy: -194.735
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: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2112.250165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.250165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.250165 (E_RNA)
where:
Base-Base interactions energy: -1461.848
where: short stacking energy: -594.920
Base-Backbone interact. energy: -1.076
local terms energy: -649.325826
where:
bonds (distance) C4'-P energy: -132.175
bonds (distance) P-C4' energy: -132.276
flat angles C4'-P-C4' energy: -141.436
flat angles P-C4'-P energy: -86.655
tors. eta vs tors. theta energy: -156.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2041.014462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.014462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.014462 (E_RNA)
where:
Base-Base interactions energy: -1401.556
where: short stacking energy: -617.434
Base-Backbone interact. energy: 0.831
local terms energy: -640.290024
where:
bonds (distance) C4'-P energy: -115.886
bonds (distance) P-C4' energy: -123.568
flat angles C4'-P-C4' energy: -130.981
flat angles P-C4'-P energy: -95.205
tors. eta vs tors. theta energy: -174.650
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: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1713.891792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.891792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.891792 (E_RNA)
where:
Base-Base interactions energy: -1147.145
where: short stacking energy: -510.388
Base-Backbone interact. energy: -2.322
local terms energy: -564.424951
where:
bonds (distance) C4'-P energy: -124.110
bonds (distance) P-C4' energy: -112.487
flat angles C4'-P-C4' energy: -114.894
flat angles P-C4'-P energy: -80.027
tors. eta vs tors. theta energy: -132.907
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: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1663.251509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.251509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.251509 (E_RNA)
where:
Base-Base interactions energy: -1087.757
where: short stacking energy: -481.855
Base-Backbone interact. energy: -2.033
local terms energy: -573.461599
where:
bonds (distance) C4'-P energy: -120.291
bonds (distance) P-C4' energy: -120.710
flat angles C4'-P-C4' energy: -137.563
flat angles P-C4'-P energy: -85.949
tors. eta vs tors. theta energy: -108.950
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: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1419.929828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.929828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.929828 (E_RNA)
where:
Base-Base interactions energy: -916.216
where: short stacking energy: -423.140
Base-Backbone interact. energy: 0.566
local terms energy: -504.280543
where:
bonds (distance) C4'-P energy: -114.251
bonds (distance) P-C4' energy: -98.848
flat angles C4'-P-C4' energy: -114.362
flat angles P-C4'-P energy: -76.862
tors. eta vs tors. theta energy: -99.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1117.818502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.818502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.818502 (E_RNA)
where:
Base-Base interactions energy: -682.401
where: short stacking energy: -335.024
Base-Backbone interact. energy: 0.024
local terms energy: -435.441593
where:
bonds (distance) C4'-P energy: -93.145
bonds (distance) P-C4' energy: -115.015
flat angles C4'-P-C4' energy: -112.029
flat angles P-C4'-P energy: -74.613
tors. eta vs tors. theta energy: -40.640
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: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -935.867632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.867632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.867632 (E_RNA)
where:
Base-Base interactions energy: -502.223
where: short stacking energy: -275.890
Base-Backbone interact. energy: 0.381
local terms energy: -434.026396
where:
bonds (distance) C4'-P energy: -95.631
bonds (distance) P-C4' energy: -126.738
flat angles C4'-P-C4' energy: -104.836
flat angles P-C4'-P energy: -79.866
tors. eta vs tors. theta energy: -26.956
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: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -841.032640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.032640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.032640 (E_RNA)
where:
Base-Base interactions energy: -460.879
where: short stacking energy: -243.759
Base-Backbone interact. energy: 0.259
local terms energy: -380.413057
where:
bonds (distance) C4'-P energy: -93.611
bonds (distance) P-C4' energy: -113.158
flat angles C4'-P-C4' energy: -86.432
flat angles P-C4'-P energy: -66.703
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2238.532775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.532775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.532775 (E_RNA)
where:
Base-Base interactions energy: -1539.470
where: short stacking energy: -635.835
Base-Backbone interact. energy: -4.732
local terms energy: -694.330206
where:
bonds (distance) C4'-P energy: -124.950
bonds (distance) P-C4' energy: -152.266
flat angles C4'-P-C4' energy: -136.029
flat angles P-C4'-P energy: -96.762
tors. eta vs tors. theta energy: -184.323
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: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2111.971366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.971366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.971366 (E_RNA)
where:
Base-Base interactions energy: -1481.384
where: short stacking energy: -615.165
Base-Backbone interact. energy: -1.014
local terms energy: -629.573619
where:
bonds (distance) C4'-P energy: -107.031
bonds (distance) P-C4' energy: -123.849
flat angles C4'-P-C4' energy: -139.065
flat angles P-C4'-P energy: -93.020
tors. eta vs tors. theta energy: -166.610
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: 3, replica: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2078.442046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.442046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.442046 (E_RNA)
where:
Base-Base interactions energy: -1402.530
where: short stacking energy: -622.183
Base-Backbone interact. energy: -1.018
local terms energy: -674.894317
where:
bonds (distance) C4'-P energy: -118.903
bonds (distance) P-C4' energy: -122.833
flat angles C4'-P-C4' energy: -143.745
flat angles P-C4'-P energy: -101.436
tors. eta vs tors. theta energy: -187.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2061.937026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.937026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.937026 (E_RNA)
where:
Base-Base interactions energy: -1402.197
where: short stacking energy: -653.428
Base-Backbone interact. energy: -1.036
local terms energy: -658.703750
where:
bonds (distance) C4'-P energy: -114.828
bonds (distance) P-C4' energy: -123.883
flat angles C4'-P-C4' energy: -142.813
flat angles P-C4'-P energy: -90.723
tors. eta vs tors. theta energy: -186.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1730.916586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.916586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.916586 (E_RNA)
where:
Base-Base interactions energy: -1153.478
where: short stacking energy: -479.249
Base-Backbone interact. energy: -3.733
local terms energy: -573.704934
where:
bonds (distance) C4'-P energy: -124.259
bonds (distance) P-C4' energy: -126.374
flat angles C4'-P-C4' energy: -114.541
flat angles P-C4'-P energy: -74.182
tors. eta vs tors. theta energy: -134.348
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: 163
Temperature: 1.150000
Total energy: -1685.018618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.018618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.018618 (E_RNA)
where:
Base-Base interactions energy: -1137.010
where: short stacking energy: -522.556
Base-Backbone interact. energy: -1.606
local terms energy: -546.401802
where:
bonds (distance) C4'-P energy: -106.126
bonds (distance) P-C4' energy: -113.926
flat angles C4'-P-C4' energy: -105.084
flat angles P-C4'-P energy: -81.893
tors. eta vs tors. theta energy: -139.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1443.485260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.485260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.485260 (E_RNA)
where:
Base-Base interactions energy: -878.507
where: short stacking energy: -448.436
Base-Backbone interact. energy: -1.457
local terms energy: -563.521610
where:
bonds (distance) C4'-P energy: -103.042
bonds (distance) P-C4' energy: -128.322
flat angles C4'-P-C4' energy: -122.476
flat angles P-C4'-P energy: -88.153
tors. eta vs tors. theta energy: -121.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1050.911708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.911708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.911708 (E_RNA)
where:
Base-Base interactions energy: -613.260
where: short stacking energy: -304.797
Base-Backbone interact. energy: -2.544
local terms energy: -435.107655
where:
bonds (distance) C4'-P energy: -111.855
bonds (distance) P-C4' energy: -115.808
flat angles C4'-P-C4' energy: -99.053
flat angles P-C4'-P energy: -62.755
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: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -919.053354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.053354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.053354 (E_RNA)
where:
Base-Base interactions energy: -518.606
where: short stacking energy: -267.846
Base-Backbone interact. energy: -0.031
local terms energy: -400.416076
where:
bonds (distance) C4'-P energy: -88.750
bonds (distance) P-C4' energy: -112.760
flat angles C4'-P-C4' energy: -113.022
flat angles P-C4'-P energy: -55.823
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: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -790.318468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.318468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.318468 (E_RNA)
where:
Base-Base interactions energy: -420.813
where: short stacking energy: -219.422
Base-Backbone interact. energy: 1.076
local terms energy: -370.581604
where:
bonds (distance) C4'-P energy: -98.986
bonds (distance) P-C4' energy: -119.927
flat angles C4'-P-C4' energy: -84.570
flat angles P-C4'-P energy: -48.077
tors. eta vs tors. theta energy: -19.021
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: 164
Temperature: 0.900000
Total energy: -2216.408697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.408697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.408697 (E_RNA)
where:
Base-Base interactions energy: -1505.987
where: short stacking energy: -658.503
Base-Backbone interact. energy: -6.936
local terms energy: -703.485145
where:
bonds (distance) C4'-P energy: -131.915
bonds (distance) P-C4' energy: -132.734
flat angles C4'-P-C4' energy: -152.922
flat angles P-C4'-P energy: -96.779
tors. eta vs tors. theta energy: -189.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2148.303894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.303894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.303894 (E_RNA)
where:
Base-Base interactions energy: -1487.590
where: short stacking energy: -618.084
Base-Backbone interact. energy: -2.239
local terms energy: -658.474991
where:
bonds (distance) C4'-P energy: -131.177
bonds (distance) P-C4' energy: -129.468
flat angles C4'-P-C4' energy: -141.689
flat angles P-C4'-P energy: -94.135
tors. eta vs tors. theta energy: -162.005
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: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2100.863516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.863516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.863516 (E_RNA)
where:
Base-Base interactions energy: -1413.268
where: short stacking energy: -613.725
Base-Backbone interact. energy: -3.557
local terms energy: -684.039312
where:
bonds (distance) C4'-P energy: -135.426
bonds (distance) P-C4' energy: -127.430
flat angles C4'-P-C4' energy: -141.537
flat angles P-C4'-P energy: -96.230
tors. eta vs tors. theta energy: -183.416
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: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2025.388545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.388545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.388545 (E_RNA)
where:
Base-Base interactions energy: -1381.260
where: short stacking energy: -619.389
Base-Backbone interact. energy: 0.298
local terms energy: -644.426702
where:
bonds (distance) C4'-P energy: -114.877
bonds (distance) P-C4' energy: -121.143
flat angles C4'-P-C4' energy: -133.080
flat angles P-C4'-P energy: -88.971
tors. eta vs tors. theta energy: -186.355
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: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1743.137390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.137390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.137390 (E_RNA)
where:
Base-Base interactions energy: -1176.441
where: short stacking energy: -495.249
Base-Backbone interact. energy: 2.536
local terms energy: -569.232312
where:
bonds (distance) C4'-P energy: -116.204
bonds (distance) P-C4' energy: -112.233
flat angles C4'-P-C4' energy: -119.119
flat angles P-C4'-P energy: -88.029
tors. eta vs tors. theta energy: -133.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1709.270418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.270418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.270418 (E_RNA)
where:
Base-Base interactions energy: -1164.094
where: short stacking energy: -496.069
Base-Backbone interact. energy: -3.006
local terms energy: -542.170659
where:
bonds (distance) C4'-P energy: -106.969
bonds (distance) P-C4' energy: -114.631
flat angles C4'-P-C4' energy: -110.803
flat angles P-C4'-P energy: -86.295
tors. eta vs tors. theta energy: -123.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1413.135226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.135226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.135226 (E_RNA)
where:
Base-Base interactions energy: -885.221
where: short stacking energy: -413.205
Base-Backbone interact. energy: -4.951
local terms energy: -522.962894
where:
bonds (distance) C4'-P energy: -107.534
bonds (distance) P-C4' energy: -118.512
flat angles C4'-P-C4' energy: -123.679
flat angles P-C4'-P energy: -71.199
tors. eta vs tors. theta energy: -102.039
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: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1093.497316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.497316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.497316 (E_RNA)
where:
Base-Base interactions energy: -672.074
where: short stacking energy: -298.826
Base-Backbone interact. energy: -1.066
local terms energy: -420.356945
where:
bonds (distance) C4'-P energy: -88.608
bonds (distance) P-C4' energy: -131.655
flat angles C4'-P-C4' energy: -97.819
flat angles P-C4'-P energy: -66.722
tors. eta vs tors. theta energy: -35.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -850.940581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.940581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.940581 (E_RNA)
where:
Base-Base interactions energy: -460.288
where: short stacking energy: -250.891
Base-Backbone interact. energy: -1.851
local terms energy: -388.801903
where:
bonds (distance) C4'-P energy: -108.489
bonds (distance) P-C4' energy: -107.818
flat angles C4'-P-C4' energy: -93.335
flat angles P-C4'-P energy: -55.388
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -838.623850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.623850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.623850 (E_RNA)
where:
Base-Base interactions energy: -454.545
where: short stacking energy: -264.125
Base-Backbone interact. energy: 0.570
local terms energy: -384.649202
where:
bonds (distance) C4'-P energy: -100.349
bonds (distance) P-C4' energy: -101.531
flat angles C4'-P-C4' energy: -83.959
flat angles P-C4'-P energy: -70.200
tors. eta vs tors. theta energy: -28.610
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: 165
Temperature: 0.900000
Total energy: -2204.464160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.464160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.464160 (E_RNA)
where:
Base-Base interactions energy: -1484.451
where: short stacking energy: -646.823
Base-Backbone interact. energy: -4.874
local terms energy: -715.139425
where:
bonds (distance) C4'-P energy: -138.667
bonds (distance) P-C4' energy: -143.671
flat angles C4'-P-C4' energy: -147.412
flat angles P-C4'-P energy: -98.603
tors. eta vs tors. theta energy: -186.786
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: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2147.467293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.467293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.467293 (E_RNA)
where:
Base-Base interactions energy: -1495.932
where: short stacking energy: -621.908
Base-Backbone interact. energy: -1.198
local terms energy: -650.336863
where:
bonds (distance) C4'-P energy: -119.810
bonds (distance) P-C4' energy: -112.631
flat angles C4'-P-C4' energy: -155.967
flat angles P-C4'-P energy: -91.100
tors. eta vs tors. theta energy: -170.829
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: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2152.688455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.688455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.688455 (E_RNA)
where:
Base-Base interactions energy: -1459.960
where: short stacking energy: -633.193
Base-Backbone interact. energy: 0.636
local terms energy: -693.364196
where:
bonds (distance) C4'-P energy: -141.464
bonds (distance) P-C4' energy: -116.908
flat angles C4'-P-C4' energy: -136.917
flat angles P-C4'-P energy: -107.498
tors. eta vs tors. theta energy: -190.576
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: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2047.036063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.036063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.036063 (E_RNA)
where:
Base-Base interactions energy: -1385.384
where: short stacking energy: -628.457
Base-Backbone interact. energy: -0.063
local terms energy: -661.588917
where:
bonds (distance) C4'-P energy: -116.752
bonds (distance) P-C4' energy: -117.287
flat angles C4'-P-C4' energy: -138.067
flat angles P-C4'-P energy: -102.650
tors. eta vs tors. theta energy: -186.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1819.402334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.402334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.402334 (E_RNA)
where:
Base-Base interactions energy: -1226.703
where: short stacking energy: -490.645
Base-Backbone interact. energy: 0.181
local terms energy: -592.880511
where:
bonds (distance) C4'-P energy: -107.013
bonds (distance) P-C4' energy: -126.567
flat angles C4'-P-C4' energy: -135.985
flat angles P-C4'-P energy: -89.330
tors. eta vs tors. theta energy: -133.986
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: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1705.087154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.087154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.087154 (E_RNA)
where:
Base-Base interactions energy: -1099.118
where: short stacking energy: -503.444
Base-Backbone interact. energy: -0.057
local terms energy: -605.912362
where:
bonds (distance) C4'-P energy: -121.177
bonds (distance) P-C4' energy: -123.557
flat angles C4'-P-C4' energy: -128.738
flat angles P-C4'-P energy: -94.177
tors. eta vs tors. theta energy: -138.264
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: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1442.494039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.494039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.494039 (E_RNA)
where:
Base-Base interactions energy: -950.117
where: short stacking energy: -422.272
Base-Backbone interact. energy: -0.578
local terms energy: -491.798864
where:
bonds (distance) C4'-P energy: -100.156
bonds (distance) P-C4' energy: -108.483
flat angles C4'-P-C4' energy: -108.689
flat angles P-C4'-P energy: -68.910
tors. eta vs tors. theta energy: -105.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1054.820239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.820239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.820239 (E_RNA)
where:
Base-Base interactions energy: -624.978
where: short stacking energy: -278.983
Base-Backbone interact. energy: -0.462
local terms energy: -429.380753
where:
bonds (distance) C4'-P energy: -114.625
bonds (distance) P-C4' energy: -124.940
flat angles C4'-P-C4' energy: -100.870
flat angles P-C4'-P energy: -59.440
tors. eta vs tors. theta energy: -29.507
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: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -882.193626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.193626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.193626 (E_RNA)
where:
Base-Base interactions energy: -491.107
where: short stacking energy: -255.315
Base-Backbone interact. energy: 0.480
local terms energy: -391.566725
where:
bonds (distance) C4'-P energy: -114.133
bonds (distance) P-C4' energy: -104.453
flat angles C4'-P-C4' energy: -100.083
flat angles P-C4'-P energy: -44.142
tors. eta vs tors. theta energy: -28.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -813.854414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.854414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.854414 (E_RNA)
where:
Base-Base interactions energy: -464.270
where: short stacking energy: -221.904
Base-Backbone interact. energy: -0.873
local terms energy: -348.711151
where:
bonds (distance) C4'-P energy: -95.792
bonds (distance) P-C4' energy: -106.593
flat angles C4'-P-C4' energy: -89.471
flat angles P-C4'-P energy: -47.637
tors. eta vs tors. theta energy: -9.219
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: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2237.828174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.828174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.828174 (E_RNA)
where:
Base-Base interactions energy: -1512.562
where: short stacking energy: -641.048
Base-Backbone interact. energy: 0.164
local terms energy: -725.430480
where:
bonds (distance) C4'-P energy: -141.849
bonds (distance) P-C4' energy: -141.530
flat angles C4'-P-C4' energy: -155.298
flat angles P-C4'-P energy: -113.179
tors. eta vs tors. theta energy: -173.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2129.887026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.887026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.887026 (E_RNA)
where:
Base-Base interactions energy: -1470.351
where: short stacking energy: -638.722
Base-Backbone interact. energy: -2.342
local terms energy: -657.193738
where:
bonds (distance) C4'-P energy: -113.415
bonds (distance) P-C4' energy: -135.547
flat angles C4'-P-C4' energy: -150.203
flat angles P-C4'-P energy: -88.145
tors. eta vs tors. theta energy: -169.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2110.184417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.184417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.184417 (E_RNA)
where:
Base-Base interactions energy: -1419.743
where: short stacking energy: -616.848
Base-Backbone interact. energy: -1.277
local terms energy: -689.163982
where:
bonds (distance) C4'-P energy: -125.975
bonds (distance) P-C4' energy: -129.787
flat angles C4'-P-C4' energy: -141.455
flat angles P-C4'-P energy: -102.231
tors. eta vs tors. theta energy: -189.716
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: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2061.163616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.163616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.163616 (E_RNA)
where:
Base-Base interactions energy: -1402.004
where: short stacking energy: -600.001
Base-Backbone interact. energy: 0.096
local terms energy: -659.255304
where:
bonds (distance) C4'-P energy: -122.112
bonds (distance) P-C4' energy: -122.032
flat angles C4'-P-C4' energy: -135.730
flat angles P-C4'-P energy: -95.302
tors. eta vs tors. theta energy: -184.080
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: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1779.039414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.039414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.039414 (E_RNA)
where:
Base-Base interactions energy: -1168.259
where: short stacking energy: -504.512
Base-Backbone interact. energy: -2.109
local terms energy: -608.671963
where:
bonds (distance) C4'-P energy: -126.077
bonds (distance) P-C4' energy: -126.489
flat angles C4'-P-C4' energy: -152.235
flat angles P-C4'-P energy: -83.663
tors. eta vs tors. theta energy: -120.207
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: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1702.909701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.909701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.909701 (E_RNA)
where:
Base-Base interactions energy: -1151.779
where: short stacking energy: -523.154
Base-Backbone interact. energy: -2.499
local terms energy: -548.632411
where:
bonds (distance) C4'-P energy: -106.382
bonds (distance) P-C4' energy: -121.867
flat angles C4'-P-C4' energy: -119.798
flat angles P-C4'-P energy: -78.289
tors. eta vs tors. theta energy: -122.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1485.385142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.385142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.385142 (E_RNA)
where:
Base-Base interactions energy: -963.170
where: short stacking energy: -439.867
Base-Backbone interact. energy: 2.270
local terms energy: -524.485158
where:
bonds (distance) C4'-P energy: -124.816
bonds (distance) P-C4' energy: -94.067
flat angles C4'-P-C4' energy: -122.611
flat angles P-C4'-P energy: -82.795
tors. eta vs tors. theta energy: -100.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1092.926517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.926517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.926517 (E_RNA)
where:
Base-Base interactions energy: -646.326
where: short stacking energy: -315.924
Base-Backbone interact. energy: 2.374
local terms energy: -448.974372
where:
bonds (distance) C4'-P energy: -107.890
bonds (distance) P-C4' energy: -133.493
flat angles C4'-P-C4' energy: -103.787
flat angles P-C4'-P energy: -65.061
tors. eta vs tors. theta energy: -38.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -890.143696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.143696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.143696 (E_RNA)
where:
Base-Base interactions energy: -467.447
where: short stacking energy: -265.860
Base-Backbone interact. energy: 0.303
local terms energy: -423.000611
where:
bonds (distance) C4'-P energy: -98.097
bonds (distance) P-C4' energy: -125.211
flat angles C4'-P-C4' energy: -129.423
flat angles P-C4'-P energy: -56.383
tors. eta vs tors. theta energy: -13.886
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: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -823.115025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.115025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.115025 (E_RNA)
where:
Base-Base interactions energy: -434.785
where: short stacking energy: -240.040
Base-Backbone interact. energy: 3.024
local terms energy: -391.353661
where:
bonds (distance) C4'-P energy: -101.192
bonds (distance) P-C4' energy: -85.354
flat angles C4'-P-C4' energy: -118.599
flat angles P-C4'-P energy: -63.883
tors. eta vs tors. theta energy: -22.324
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: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2212.289603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.289603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.289603 (E_RNA)
where:
Base-Base interactions energy: -1523.572
where: short stacking energy: -640.156
Base-Backbone interact. energy: -1.647
local terms energy: -687.070317
where:
bonds (distance) C4'-P energy: -127.294
bonds (distance) P-C4' energy: -125.346
flat angles C4'-P-C4' energy: -146.070
flat angles P-C4'-P energy: -103.463
tors. eta vs tors. theta energy: -184.896
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: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2142.556916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.556916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.556916 (E_RNA)
where:
Base-Base interactions energy: -1462.597
where: short stacking energy: -618.936
Base-Backbone interact. energy: -0.741
local terms energy: -679.219361
where:
bonds (distance) C4'-P energy: -127.878
bonds (distance) P-C4' energy: -132.158
flat angles C4'-P-C4' energy: -142.739
flat angles P-C4'-P energy: -98.973
tors. eta vs tors. theta energy: -177.472
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: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2086.371643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.371643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.371643 (E_RNA)
where:
Base-Base interactions energy: -1408.715
where: short stacking energy: -650.377
Base-Backbone interact. energy: -1.143
local terms energy: -676.513215
where:
bonds (distance) C4'-P energy: -130.724
bonds (distance) P-C4' energy: -127.320
flat angles C4'-P-C4' energy: -143.764
flat angles P-C4'-P energy: -90.108
tors. eta vs tors. theta energy: -184.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2017.541882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.541882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.541882 (E_RNA)
where:
Base-Base interactions energy: -1368.395
where: short stacking energy: -615.399
Base-Backbone interact. energy: -0.483
local terms energy: -648.663433
where:
bonds (distance) C4'-P energy: -105.830
bonds (distance) P-C4' energy: -111.308
flat angles C4'-P-C4' energy: -158.002
flat angles P-C4'-P energy: -81.815
tors. eta vs tors. theta energy: -191.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1727.997992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.997992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.997992 (E_RNA)
where:
Base-Base interactions energy: -1160.449
where: short stacking energy: -525.542
Base-Backbone interact. energy: 2.489
local terms energy: -570.037890
where:
bonds (distance) C4'-P energy: -113.853
bonds (distance) P-C4' energy: -124.413
flat angles C4'-P-C4' energy: -127.594
flat angles P-C4'-P energy: -74.888
tors. eta vs tors. theta energy: -129.289
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: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1668.676843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.676843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.676843 (E_RNA)
where:
Base-Base interactions energy: -1098.697
where: short stacking energy: -461.358
Base-Backbone interact. energy: -1.962
local terms energy: -568.018272
where:
bonds (distance) C4'-P energy: -104.420
bonds (distance) P-C4' energy: -113.680
flat angles C4'-P-C4' energy: -136.963
flat angles P-C4'-P energy: -95.016
tors. eta vs tors. theta energy: -117.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1488.639305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.639305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.639305 (E_RNA)
where:
Base-Base interactions energy: -967.036
where: short stacking energy: -435.086
Base-Backbone interact. energy: 0.277
local terms energy: -521.880457
where:
bonds (distance) C4'-P energy: -112.721
bonds (distance) P-C4' energy: -108.200
flat angles C4'-P-C4' energy: -118.590
flat angles P-C4'-P energy: -78.507
tors. eta vs tors. theta energy: -103.863
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: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1121.526327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.526327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.526327 (E_RNA)
where:
Base-Base interactions energy: -684.196
where: short stacking energy: -299.088
Base-Backbone interact. energy: 0.311
local terms energy: -437.641087
where:
bonds (distance) C4'-P energy: -110.477
bonds (distance) P-C4' energy: -119.686
flat angles C4'-P-C4' energy: -121.899
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -43.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -966.405252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.405252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.405252 (E_RNA)
where:
Base-Base interactions energy: -552.801
where: short stacking energy: -256.083
Base-Backbone interact. energy: -0.748
local terms energy: -412.856173
where:
bonds (distance) C4'-P energy: -100.074
bonds (distance) P-C4' energy: -125.975
flat angles C4'-P-C4' energy: -99.854
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: -33.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -802.205545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.205545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.205545 (E_RNA)
where:
Base-Base interactions energy: -452.270
where: short stacking energy: -232.255
Base-Backbone interact. energy: -0.999
local terms energy: -348.936530
where:
bonds (distance) C4'-P energy: -83.206
bonds (distance) P-C4' energy: -105.403
flat angles C4'-P-C4' energy: -76.547
flat angles P-C4'-P energy: -66.779
tors. eta vs tors. theta energy: -17.001
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: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2193.338888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.338888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.338888 (E_RNA)
where:
Base-Base interactions energy: -1498.319
where: short stacking energy: -627.253
Base-Backbone interact. energy: -1.753
local terms energy: -693.266371
where:
bonds (distance) C4'-P energy: -139.023
bonds (distance) P-C4' energy: -136.543
flat angles C4'-P-C4' energy: -135.371
flat angles P-C4'-P energy: -105.609
tors. eta vs tors. theta energy: -176.720
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: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2143.597512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.597512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.597512 (E_RNA)
where:
Base-Base interactions energy: -1435.215
where: short stacking energy: -633.949
Base-Backbone interact. energy: -4.935
local terms energy: -703.447876
where:
bonds (distance) C4'-P energy: -135.399
bonds (distance) P-C4' energy: -134.418
flat angles C4'-P-C4' energy: -152.124
flat angles P-C4'-P energy: -100.180
tors. eta vs tors. theta energy: -181.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2138.614484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.614484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.614484 (E_RNA)
where:
Base-Base interactions energy: -1481.942
where: short stacking energy: -671.135
Base-Backbone interact. energy: -2.021
local terms energy: -654.651312
where:
bonds (distance) C4'-P energy: -104.117
bonds (distance) P-C4' energy: -119.533
flat angles C4'-P-C4' energy: -144.270
flat angles P-C4'-P energy: -90.955
tors. eta vs tors. theta energy: -195.776
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: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2012.425820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.425820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.425820 (E_RNA)
where:
Base-Base interactions energy: -1367.192
where: short stacking energy: -573.481
Base-Backbone interact. energy: -2.013
local terms energy: -643.220627
where:
bonds (distance) C4'-P energy: -121.515
bonds (distance) P-C4' energy: -123.183
flat angles C4'-P-C4' energy: -126.986
flat angles P-C4'-P energy: -91.363
tors. eta vs tors. theta energy: -180.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1725.548902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.548902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.548902 (E_RNA)
where:
Base-Base interactions energy: -1143.629
where: short stacking energy: -509.429
Base-Backbone interact. energy: -1.083
local terms energy: -580.837205
where:
bonds (distance) C4'-P energy: -103.004
bonds (distance) P-C4' energy: -121.238
flat angles C4'-P-C4' energy: -143.765
flat angles P-C4'-P energy: -87.225
tors. eta vs tors. theta energy: -125.606
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: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1680.640201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.640201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.640201 (E_RNA)
where:
Base-Base interactions energy: -1130.298
where: short stacking energy: -485.586
Base-Backbone interact. energy: 1.522
local terms energy: -551.863674
where:
bonds (distance) C4'-P energy: -110.592
bonds (distance) P-C4' energy: -106.510
flat angles C4'-P-C4' energy: -126.888
flat angles P-C4'-P energy: -77.184
tors. eta vs tors. theta energy: -130.689
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: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1470.464151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.464151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.464151 (E_RNA)
where:
Base-Base interactions energy: -971.458
where: short stacking energy: -427.907
Base-Backbone interact. energy: -0.441
local terms energy: -498.565158
where:
bonds (distance) C4'-P energy: -100.006
bonds (distance) P-C4' energy: -109.811
flat angles C4'-P-C4' energy: -124.407
flat angles P-C4'-P energy: -61.574
tors. eta vs tors. theta energy: -102.767
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: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1068.742994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.742994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.742994 (E_RNA)
where:
Base-Base interactions energy: -649.629
where: short stacking energy: -339.198
Base-Backbone interact. energy: 4.152
local terms energy: -423.265846
where:
bonds (distance) C4'-P energy: -107.091
bonds (distance) P-C4' energy: -115.486
flat angles C4'-P-C4' energy: -95.843
flat angles P-C4'-P energy: -47.424
tors. eta vs tors. theta energy: -57.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -960.150010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.150010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.150010 (E_RNA)
where:
Base-Base interactions energy: -533.137
where: short stacking energy: -286.265
Base-Backbone interact. energy: -6.041
local terms energy: -420.972140
where:
bonds (distance) C4'-P energy: -97.837
bonds (distance) P-C4' energy: -111.257
flat angles C4'-P-C4' energy: -115.637
flat angles P-C4'-P energy: -59.951
tors. eta vs tors. theta energy: -36.290
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: 168
Temperature: 1.350000
Total energy: -834.323986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.323986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.323986 (E_RNA)
where:
Base-Base interactions energy: -476.693
where: short stacking energy: -269.825
Base-Backbone interact. energy: 0.129
local terms energy: -357.759641
where:
bonds (distance) C4'-P energy: -82.979
bonds (distance) P-C4' energy: -94.102
flat angles C4'-P-C4' energy: -93.475
flat angles P-C4'-P energy: -57.910
tors. eta vs tors. theta energy: -29.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2194.745695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.745695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.745695 (E_RNA)
where:
Base-Base interactions energy: -1514.235
where: short stacking energy: -635.949
Base-Backbone interact. energy: -2.573
local terms energy: -677.937227
where:
bonds (distance) C4'-P energy: -118.601
bonds (distance) P-C4' energy: -135.281
flat angles C4'-P-C4' energy: -155.181
flat angles P-C4'-P energy: -95.202
tors. eta vs tors. theta energy: -173.672
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: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2140.714098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.714098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.714098 (E_RNA)
where:
Base-Base interactions energy: -1481.081
where: short stacking energy: -637.942
Base-Backbone interact. energy: -3.546
local terms energy: -656.087635
where:
bonds (distance) C4'-P energy: -119.022
bonds (distance) P-C4' energy: -124.941
flat angles C4'-P-C4' energy: -136.001
flat angles P-C4'-P energy: -99.976
tors. eta vs tors. theta energy: -176.147
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: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2135.904357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.904357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.904357 (E_RNA)
where:
Base-Base interactions energy: -1453.870
where: short stacking energy: -656.360
Base-Backbone interact. energy: -0.680
local terms energy: -681.354342
where:
bonds (distance) C4'-P energy: -120.875
bonds (distance) P-C4' energy: -123.466
flat angles C4'-P-C4' energy: -149.815
flat angles P-C4'-P energy: -97.100
tors. eta vs tors. theta energy: -190.099
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: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2045.525822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.525822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.525822 (E_RNA)
where:
Base-Base interactions energy: -1368.567
where: short stacking energy: -607.426
Base-Backbone interact. energy: -3.178
local terms energy: -673.781108
where:
bonds (distance) C4'-P energy: -129.956
bonds (distance) P-C4' energy: -116.076
flat angles C4'-P-C4' energy: -135.113
flat angles P-C4'-P energy: -106.493
tors. eta vs tors. theta energy: -186.142
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: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1796.418136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.418136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.418136 (E_RNA)
where:
Base-Base interactions energy: -1225.005
where: short stacking energy: -527.135
Base-Backbone interact. energy: 1.904
local terms energy: -573.317669
where:
bonds (distance) C4'-P energy: -113.452
bonds (distance) P-C4' energy: -119.390
flat angles C4'-P-C4' energy: -123.741
flat angles P-C4'-P energy: -78.146
tors. eta vs tors. theta energy: -138.589
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: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1690.470572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.470572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.470572 (E_RNA)
where:
Base-Base interactions energy: -1139.321
where: short stacking energy: -489.813
Base-Backbone interact. energy: -2.813
local terms energy: -548.337157
where:
bonds (distance) C4'-P energy: -97.203
bonds (distance) P-C4' energy: -104.329
flat angles C4'-P-C4' energy: -136.888
flat angles P-C4'-P energy: -80.572
tors. eta vs tors. theta energy: -129.346
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: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1486.437296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.437296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.437296 (E_RNA)
where:
Base-Base interactions energy: -997.636
where: short stacking energy: -454.965
Base-Backbone interact. energy: -2.745
local terms energy: -486.055690
where:
bonds (distance) C4'-P energy: -84.308
bonds (distance) P-C4' energy: -109.042
flat angles C4'-P-C4' energy: -131.337
flat angles P-C4'-P energy: -69.052
tors. eta vs tors. theta energy: -92.316
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: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1095.244178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.244178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.244178 (E_RNA)
where:
Base-Base interactions energy: -668.000
where: short stacking energy: -319.340
Base-Backbone interact. energy: 0.858
local terms energy: -428.102097
where:
bonds (distance) C4'-P energy: -93.775
bonds (distance) P-C4' energy: -113.411
flat angles C4'-P-C4' energy: -100.277
flat angles P-C4'-P energy: -66.639
tors. eta vs tors. theta energy: -53.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -904.822997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.822997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.822997 (E_RNA)
where:
Base-Base interactions energy: -507.349
where: short stacking energy: -251.852
Base-Backbone interact. energy: -0.491
local terms energy: -396.982608
where:
bonds (distance) C4'-P energy: -108.675
bonds (distance) P-C4' energy: -123.585
flat angles C4'-P-C4' energy: -97.178
flat angles P-C4'-P energy: -60.878
tors. eta vs tors. theta energy: -6.667
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: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -844.602729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.602729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.602729 (E_RNA)
where:
Base-Base interactions energy: -457.106
where: short stacking energy: -254.920
Base-Backbone interact. energy: 0.054
local terms energy: -387.551055
where:
bonds (distance) C4'-P energy: -117.575
bonds (distance) P-C4' energy: -100.814
flat angles C4'-P-C4' energy: -100.557
flat angles P-C4'-P energy: -44.687
tors. eta vs tors. theta energy: -23.917
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: 170
Temperature: 0.900000
Total energy: -2221.081124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.081124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.081124 (E_RNA)
where:
Base-Base interactions energy: -1522.453
where: short stacking energy: -660.376
Base-Backbone interact. energy: -0.281
local terms energy: -698.347876
where:
bonds (distance) C4'-P energy: -129.788
bonds (distance) P-C4' energy: -122.704
flat angles C4'-P-C4' energy: -151.601
flat angles P-C4'-P energy: -109.285
tors. eta vs tors. theta energy: -184.970
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: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2128.387867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.387867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.387867 (E_RNA)
where:
Base-Base interactions energy: -1459.300
where: short stacking energy: -625.647
Base-Backbone interact. energy: -1.648
local terms energy: -667.439310
where:
bonds (distance) C4'-P energy: -121.953
bonds (distance) P-C4' energy: -143.321
flat angles C4'-P-C4' energy: -138.639
flat angles P-C4'-P energy: -99.709
tors. eta vs tors. theta energy: -163.817
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: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2134.341198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.341198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.341198 (E_RNA)
where:
Base-Base interactions energy: -1448.805
where: short stacking energy: -686.305
Base-Backbone interact. energy: 1.018
local terms energy: -686.554089
where:
bonds (distance) C4'-P energy: -113.817
bonds (distance) P-C4' energy: -115.885
flat angles C4'-P-C4' energy: -152.742
flat angles P-C4'-P energy: -80.731
tors. eta vs tors. theta energy: -223.379
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: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2031.244739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.244739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.244739 (E_RNA)
where:
Base-Base interactions energy: -1374.619
where: short stacking energy: -607.036
Base-Backbone interact. energy: 1.738
local terms energy: -658.363515
where:
bonds (distance) C4'-P energy: -132.311
bonds (distance) P-C4' energy: -122.563
flat angles C4'-P-C4' energy: -128.432
flat angles P-C4'-P energy: -85.932
tors. eta vs tors. theta energy: -189.126
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: 5, replica: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1779.255869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.255869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.255869 (E_RNA)
where:
Base-Base interactions energy: -1194.532
where: short stacking energy: -519.772
Base-Backbone interact. energy: 3.259
local terms energy: -587.982601
where:
bonds (distance) C4'-P energy: -113.641
bonds (distance) P-C4' energy: -112.100
flat angles C4'-P-C4' energy: -137.062
flat angles P-C4'-P energy: -81.661
tors. eta vs tors. theta energy: -143.519
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: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1702.876269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.876269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.876269 (E_RNA)
where:
Base-Base interactions energy: -1148.676
where: short stacking energy: -461.951
Base-Backbone interact. energy: -2.524
local terms energy: -551.675988
where:
bonds (distance) C4'-P energy: -108.326
bonds (distance) P-C4' energy: -123.036
flat angles C4'-P-C4' energy: -125.990
flat angles P-C4'-P energy: -71.378
tors. eta vs tors. theta energy: -122.946
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: 170
Temperature: 1.200000
Total energy: -1461.954512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.954512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.954512 (E_RNA)
where:
Base-Base interactions energy: -933.924
where: short stacking energy: -429.106
Base-Backbone interact. energy: -0.866
local terms energy: -527.164622
where:
bonds (distance) C4'-P energy: -111.658
bonds (distance) P-C4' energy: -113.356
flat angles C4'-P-C4' energy: -127.052
flat angles P-C4'-P energy: -78.395
tors. eta vs tors. theta energy: -96.704
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: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1147.097136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.097136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.097136 (E_RNA)
where:
Base-Base interactions energy: -733.021
where: short stacking energy: -351.208
Base-Backbone interact. energy: 11.807
local terms energy: -425.882729
where:
bonds (distance) C4'-P energy: -99.002
bonds (distance) P-C4' energy: -105.478
flat angles C4'-P-C4' energy: -115.405
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: -57.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -946.592506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.592506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.592506 (E_RNA)
where:
Base-Base interactions energy: -569.436
where: short stacking energy: -289.286
Base-Backbone interact. energy: -0.249
local terms energy: -376.906936
where:
bonds (distance) C4'-P energy: -84.158
bonds (distance) P-C4' energy: -113.456
flat angles C4'-P-C4' energy: -97.016
flat angles P-C4'-P energy: -71.929
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -824.321582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.321582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.321582 (E_RNA)
where:
Base-Base interactions energy: -444.092
where: short stacking energy: -245.449
Base-Backbone interact. energy: 0.947
local terms energy: -381.176598
where:
bonds (distance) C4'-P energy: -104.863
bonds (distance) P-C4' energy: -100.836
flat angles C4'-P-C4' energy: -106.277
flat angles P-C4'-P energy: -58.149
tors. eta vs tors. theta energy: -11.052
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: 171
Temperature: 0.900000
Total energy: -2240.765629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.765629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.765629 (E_RNA)
where:
Base-Base interactions energy: -1549.310
where: short stacking energy: -666.862
Base-Backbone interact. energy: -2.805
local terms energy: -688.650035
where:
bonds (distance) C4'-P energy: -126.956
bonds (distance) P-C4' energy: -130.963
flat angles C4'-P-C4' energy: -144.985
flat angles P-C4'-P energy: -95.455
tors. eta vs tors. theta energy: -190.291
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: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2206.600919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.600919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.600919 (E_RNA)
where:
Base-Base interactions energy: -1486.474
where: short stacking energy: -662.405
Base-Backbone interact. energy: -1.517
local terms energy: -718.610083
where:
bonds (distance) C4'-P energy: -123.205
bonds (distance) P-C4' energy: -130.811
flat angles C4'-P-C4' energy: -154.486
flat angles P-C4'-P energy: -110.292
tors. eta vs tors. theta energy: -199.817
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: 171
Temperature: 1.000000
Total energy: -2103.992086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.992086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.992086 (E_RNA)
where:
Base-Base interactions energy: -1427.174
where: short stacking energy: -595.008
Base-Backbone interact. energy: -2.469
local terms energy: -674.349318
where:
bonds (distance) C4'-P energy: -138.164
bonds (distance) P-C4' energy: -124.450
flat angles C4'-P-C4' energy: -146.424
flat angles P-C4'-P energy: -96.627
tors. eta vs tors. theta energy: -168.685
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: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2039.217675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.217675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.217675 (E_RNA)
where:
Base-Base interactions energy: -1387.033
where: short stacking energy: -618.353
Base-Backbone interact. energy: -1.272
local terms energy: -650.912690
where:
bonds (distance) C4'-P energy: -119.317
bonds (distance) P-C4' energy: -116.735
flat angles C4'-P-C4' energy: -136.747
flat angles P-C4'-P energy: -83.937
tors. eta vs tors. theta energy: -194.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1794.227793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.227793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.227793 (E_RNA)
where:
Base-Base interactions energy: -1186.478
where: short stacking energy: -545.668
Base-Backbone interact. energy: -2.276
local terms energy: -605.473820
where:
bonds (distance) C4'-P energy: -114.752
bonds (distance) P-C4' energy: -127.571
flat angles C4'-P-C4' energy: -121.742
flat angles P-C4'-P energy: -83.189
tors. eta vs tors. theta energy: -158.220
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: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1619.340962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.340962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.340962 (E_RNA)
where:
Base-Base interactions energy: -1116.901
where: short stacking energy: -470.573
Base-Backbone interact. energy: -0.586
local terms energy: -501.853723
where:
bonds (distance) C4'-P energy: -95.087
bonds (distance) P-C4' energy: -105.833
flat angles C4'-P-C4' energy: -126.339
flat angles P-C4'-P energy: -58.643
tors. eta vs tors. theta energy: -115.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1499.089769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.089769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.089769 (E_RNA)
where:
Base-Base interactions energy: -986.125
where: short stacking energy: -429.630
Base-Backbone interact. energy: -1.157
local terms energy: -511.807712
where:
bonds (distance) C4'-P energy: -119.328
bonds (distance) P-C4' energy: -119.849
flat angles C4'-P-C4' energy: -115.048
flat angles P-C4'-P energy: -65.652
tors. eta vs tors. theta energy: -91.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1114.902593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.902593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.902593 (E_RNA)
where:
Base-Base interactions energy: -676.439
where: short stacking energy: -314.811
Base-Backbone interact. energy: -2.812
local terms energy: -435.651731
where:
bonds (distance) C4'-P energy: -104.564
bonds (distance) P-C4' energy: -122.274
flat angles C4'-P-C4' energy: -110.084
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -55.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -972.721273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.721273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.721273 (E_RNA)
where:
Base-Base interactions energy: -555.772
where: short stacking energy: -257.723
Base-Backbone interact. energy: -0.234
local terms energy: -416.715272
where:
bonds (distance) C4'-P energy: -105.748
bonds (distance) P-C4' energy: -105.363
flat angles C4'-P-C4' energy: -117.602
flat angles P-C4'-P energy: -64.365
tors. eta vs tors. theta energy: -23.636
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: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -847.945644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.945644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.945644 (E_RNA)
where:
Base-Base interactions energy: -483.645
where: short stacking energy: -241.220
Base-Backbone interact. energy: 0.879
local terms energy: -365.180055
where:
bonds (distance) C4'-P energy: -106.699
bonds (distance) P-C4' energy: -112.734
flat angles C4'-P-C4' energy: -75.896
flat angles P-C4'-P energy: -56.536
tors. eta vs tors. theta energy: -13.315
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: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2213.501964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.501964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.501964 (E_RNA)
where:
Base-Base interactions energy: -1510.285
where: short stacking energy: -645.058
Base-Backbone interact. energy: -2.941
local terms energy: -700.276469
where:
bonds (distance) C4'-P energy: -116.589
bonds (distance) P-C4' energy: -139.873
flat angles C4'-P-C4' energy: -150.906
flat angles P-C4'-P energy: -100.923
tors. eta vs tors. theta energy: -191.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2197.648565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.648565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.648565 (E_RNA)
where:
Base-Base interactions energy: -1490.530
where: short stacking energy: -662.309
Base-Backbone interact. energy: -2.610
local terms energy: -704.508289
where:
bonds (distance) C4'-P energy: -131.884
bonds (distance) P-C4' energy: -135.104
flat angles C4'-P-C4' energy: -154.017
flat angles P-C4'-P energy: -86.235
tors. eta vs tors. theta energy: -197.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2082.191613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.191613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.191613 (E_RNA)
where:
Base-Base interactions energy: -1435.845
where: short stacking energy: -609.365
Base-Backbone interact. energy: -1.321
local terms energy: -645.025829
where:
bonds (distance) C4'-P energy: -123.469
bonds (distance) P-C4' energy: -124.531
flat angles C4'-P-C4' energy: -132.358
flat angles P-C4'-P energy: -94.659
tors. eta vs tors. theta energy: -170.010
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: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2049.648438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.648438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.648438 (E_RNA)
where:
Base-Base interactions energy: -1372.804
where: short stacking energy: -605.219
Base-Backbone interact. energy: -1.181
local terms energy: -675.664132
where:
bonds (distance) C4'-P energy: -134.170
bonds (distance) P-C4' energy: -130.974
flat angles C4'-P-C4' energy: -141.896
flat angles P-C4'-P energy: -86.014
tors. eta vs tors. theta energy: -182.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1820.040572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.040572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.040572 (E_RNA)
where:
Base-Base interactions energy: -1201.857
where: short stacking energy: -530.088
Base-Backbone interact. energy: -0.304
local terms energy: -617.879168
where:
bonds (distance) C4'-P energy: -127.215
bonds (distance) P-C4' energy: -130.272
flat angles C4'-P-C4' energy: -129.282
flat angles P-C4'-P energy: -94.279
tors. eta vs tors. theta energy: -136.831
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: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1628.550378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.550378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.550378 (E_RNA)
where:
Base-Base interactions energy: -1052.463
where: short stacking energy: -457.301
Base-Backbone interact. energy: 0.248
local terms energy: -576.335073
where:
bonds (distance) C4'-P energy: -121.670
bonds (distance) P-C4' energy: -114.456
flat angles C4'-P-C4' energy: -121.043
flat angles P-C4'-P energy: -88.429
tors. eta vs tors. theta energy: -130.738
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: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1497.649411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.649411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.649411 (E_RNA)
where:
Base-Base interactions energy: -1017.075
where: short stacking energy: -439.126
Base-Backbone interact. energy: 4.074
local terms energy: -484.647947
where:
bonds (distance) C4'-P energy: -107.575
bonds (distance) P-C4' energy: -102.272
flat angles C4'-P-C4' energy: -112.296
flat angles P-C4'-P energy: -72.154
tors. eta vs tors. theta energy: -90.352
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: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1112.836995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.836995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.836995 (E_RNA)
where:
Base-Base interactions energy: -679.417
where: short stacking energy: -320.493
Base-Backbone interact. energy: 0.061
local terms energy: -433.480110
where:
bonds (distance) C4'-P energy: -113.250
bonds (distance) P-C4' energy: -113.100
flat angles C4'-P-C4' energy: -111.840
flat angles P-C4'-P energy: -44.447
tors. eta vs tors. theta energy: -50.843
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: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -896.086408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.086408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.086408 (E_RNA)
where:
Base-Base interactions energy: -515.797
where: short stacking energy: -276.983
Base-Backbone interact. energy: 3.172
local terms energy: -383.462014
where:
bonds (distance) C4'-P energy: -94.498
bonds (distance) P-C4' energy: -112.591
flat angles C4'-P-C4' energy: -89.614
flat angles P-C4'-P energy: -56.131
tors. eta vs tors. theta energy: -30.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -868.970256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.970256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.970256 (E_RNA)
where:
Base-Base interactions energy: -487.355
where: short stacking energy: -257.485
Base-Backbone interact. energy: 0.887
local terms energy: -382.502266
where:
bonds (distance) C4'-P energy: -109.383
bonds (distance) P-C4' energy: -101.609
flat angles C4'-P-C4' energy: -120.024
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2226.179064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.179064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.179064 (E_RNA)
where:
Base-Base interactions energy: -1539.035
where: short stacking energy: -634.678
Base-Backbone interact. energy: 2.682
local terms energy: -689.826023
where:
bonds (distance) C4'-P energy: -124.276
bonds (distance) P-C4' energy: -140.995
flat angles C4'-P-C4' energy: -144.529
flat angles P-C4'-P energy: -98.148
tors. eta vs tors. theta energy: -181.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2219.848480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.848480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.848480 (E_RNA)
where:
Base-Base interactions energy: -1509.766
where: short stacking energy: -674.649
Base-Backbone interact. energy: -2.189
local terms energy: -707.893726
where:
bonds (distance) C4'-P energy: -135.387
bonds (distance) P-C4' energy: -129.492
flat angles C4'-P-C4' energy: -151.131
flat angles P-C4'-P energy: -88.607
tors. eta vs tors. theta energy: -203.276
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: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2127.765498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.765498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.765498 (E_RNA)
where:
Base-Base interactions energy: -1476.215
where: short stacking energy: -631.796
Base-Backbone interact. energy: -3.476
local terms energy: -648.073768
where:
bonds (distance) C4'-P energy: -117.745
bonds (distance) P-C4' energy: -116.227
flat angles C4'-P-C4' energy: -143.497
flat angles P-C4'-P energy: -93.371
tors. eta vs tors. theta energy: -177.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2075.854895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.854895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.854895 (E_RNA)
where:
Base-Base interactions energy: -1405.887
where: short stacking energy: -629.293
Base-Backbone interact. energy: -2.557
local terms energy: -667.410730
where:
bonds (distance) C4'-P energy: -100.362
bonds (distance) P-C4' energy: -129.220
flat angles C4'-P-C4' energy: -151.818
flat angles P-C4'-P energy: -84.654
tors. eta vs tors. theta energy: -201.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1759.379519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.379519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.379519 (E_RNA)
where:
Base-Base interactions energy: -1180.085
where: short stacking energy: -547.391
Base-Backbone interact. energy: -1.557
local terms energy: -577.737432
where:
bonds (distance) C4'-P energy: -117.209
bonds (distance) P-C4' energy: -109.263
flat angles C4'-P-C4' energy: -126.605
flat angles P-C4'-P energy: -86.004
tors. eta vs tors. theta energy: -138.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1643.853597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.853597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.853597 (E_RNA)
where:
Base-Base interactions energy: -1087.978
where: short stacking energy: -493.113
Base-Backbone interact. energy: 2.844
local terms energy: -558.719770
where:
bonds (distance) C4'-P energy: -114.223
bonds (distance) P-C4' energy: -111.350
flat angles C4'-P-C4' energy: -124.152
flat angles P-C4'-P energy: -87.771
tors. eta vs tors. theta energy: -121.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1480.369515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.369515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.369515 (E_RNA)
where:
Base-Base interactions energy: -942.879
where: short stacking energy: -429.542
Base-Backbone interact. energy: 6.228
local terms energy: -543.719094
where:
bonds (distance) C4'-P energy: -110.900
bonds (distance) P-C4' energy: -130.189
flat angles C4'-P-C4' energy: -111.436
flat angles P-C4'-P energy: -80.012
tors. eta vs tors. theta energy: -111.182
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: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1086.494296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.494296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.494296 (E_RNA)
where:
Base-Base interactions energy: -628.586
where: short stacking energy: -329.908
Base-Backbone interact. energy: -1.987
local terms energy: -455.921146
where:
bonds (distance) C4'-P energy: -102.765
bonds (distance) P-C4' energy: -108.181
flat angles C4'-P-C4' energy: -115.936
flat angles P-C4'-P energy: -65.096
tors. eta vs tors. theta energy: -63.943
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: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -932.231345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.231345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.231345 (E_RNA)
where:
Base-Base interactions energy: -546.649
where: short stacking energy: -275.021
Base-Backbone interact. energy: 5.949
local terms energy: -391.531597
where:
bonds (distance) C4'-P energy: -94.974
bonds (distance) P-C4' energy: -117.078
flat angles C4'-P-C4' energy: -110.880
flat angles P-C4'-P energy: -46.067
tors. eta vs tors. theta energy: -22.533
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: 173
Temperature: 1.350000
Total energy: -822.268760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.268760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.268760 (E_RNA)
where:
Base-Base interactions energy: -446.432
where: short stacking energy: -233.040
Base-Backbone interact. energy: -0.669
local terms energy: -375.168494
where:
bonds (distance) C4'-P energy: -105.882
bonds (distance) P-C4' energy: -122.628
flat angles C4'-P-C4' energy: -86.744
flat angles P-C4'-P energy: -44.009
tors. eta vs tors. theta energy: -15.905
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: 174
Temperature: 0.900000
Total energy: -2254.120858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.120858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.120858 (E_RNA)
where:
Base-Base interactions energy: -1570.156
where: short stacking energy: -674.796
Base-Backbone interact. energy: -0.924
local terms energy: -683.040238
where:
bonds (distance) C4'-P energy: -133.537
bonds (distance) P-C4' energy: -131.275
flat angles C4'-P-C4' energy: -147.203
flat angles P-C4'-P energy: -87.112
tors. eta vs tors. theta energy: -183.914
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: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2190.339133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.339133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.339133 (E_RNA)
where:
Base-Base interactions energy: -1459.070
where: short stacking energy: -663.473
Base-Backbone interact. energy: -1.632
local terms energy: -729.637389
where:
bonds (distance) C4'-P energy: -141.711
bonds (distance) P-C4' energy: -134.689
flat angles C4'-P-C4' energy: -154.078
flat angles P-C4'-P energy: -100.830
tors. eta vs tors. theta energy: -198.330
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: 174
Temperature: 1.000000
Total energy: -2078.554253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.554253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.554253 (E_RNA)
where:
Base-Base interactions energy: -1432.300
where: short stacking energy: -607.304
Base-Backbone interact. energy: -1.273
local terms energy: -644.980657
where:
bonds (distance) C4'-P energy: -127.587
bonds (distance) P-C4' energy: -129.087
flat angles C4'-P-C4' energy: -141.479
flat angles P-C4'-P energy: -79.303
tors. eta vs tors. theta energy: -167.526
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: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2040.769138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.769138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.769138 (E_RNA)
where:
Base-Base interactions energy: -1366.776
where: short stacking energy: -592.861
Base-Backbone interact. energy: -1.221
local terms energy: -672.772217
where:
bonds (distance) C4'-P energy: -115.996
bonds (distance) P-C4' energy: -128.323
flat angles C4'-P-C4' energy: -147.581
flat angles P-C4'-P energy: -101.154
tors. eta vs tors. theta energy: -179.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1787.604712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.604712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.604712 (E_RNA)
where:
Base-Base interactions energy: -1210.122
where: short stacking energy: -558.843
Base-Backbone interact. energy: -2.692
local terms energy: -574.790995
where:
bonds (distance) C4'-P energy: -111.936
bonds (distance) P-C4' energy: -109.808
flat angles C4'-P-C4' energy: -138.496
flat angles P-C4'-P energy: -66.741
tors. eta vs tors. theta energy: -147.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1633.311935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.311935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.311935 (E_RNA)
where:
Base-Base interactions energy: -1083.993
where: short stacking energy: -453.080
Base-Backbone interact. energy: -0.698
local terms energy: -548.620900
where:
bonds (distance) C4'-P energy: -100.094
bonds (distance) P-C4' energy: -127.996
flat angles C4'-P-C4' energy: -124.725
flat angles P-C4'-P energy: -73.526
tors. eta vs tors. theta energy: -122.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1490.655473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.655473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.655473 (E_RNA)
where:
Base-Base interactions energy: -964.863
where: short stacking energy: -422.091
Base-Backbone interact. energy: -1.404
local terms energy: -524.388693
where:
bonds (distance) C4'-P energy: -115.103
bonds (distance) P-C4' energy: -119.895
flat angles C4'-P-C4' energy: -111.485
flat angles P-C4'-P energy: -75.477
tors. eta vs tors. theta energy: -102.430
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: 174
Temperature: 1.250000
Total energy: -1057.892630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.892630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.892630 (E_RNA)
where:
Base-Base interactions energy: -621.821
where: short stacking energy: -314.425
Base-Backbone interact. energy: 7.275
local terms energy: -443.346486
where:
bonds (distance) C4'-P energy: -111.716
bonds (distance) P-C4' energy: -120.132
flat angles C4'-P-C4' energy: -111.894
flat angles P-C4'-P energy: -53.970
tors. eta vs tors. theta energy: -45.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -992.156654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.156654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.156654 (E_RNA)
where:
Base-Base interactions energy: -578.584
where: short stacking energy: -294.248
Base-Backbone interact. energy: -1.031
local terms energy: -412.542600
where:
bonds (distance) C4'-P energy: -104.446
bonds (distance) P-C4' energy: -111.156
flat angles C4'-P-C4' energy: -100.273
flat angles P-C4'-P energy: -59.470
tors. eta vs tors. theta energy: -37.197
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: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -787.969445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.969445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.969445 (E_RNA)
where:
Base-Base interactions energy: -429.423
where: short stacking energy: -232.116
Base-Backbone interact. energy: 5.266
local terms energy: -363.812429
where:
bonds (distance) C4'-P energy: -92.122
bonds (distance) P-C4' energy: -92.133
flat angles C4'-P-C4' energy: -104.539
flat angles P-C4'-P energy: -60.794
tors. eta vs tors. theta energy: -14.224
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: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2222.681175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.681175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.681175 (E_RNA)
where:
Base-Base interactions energy: -1525.490
where: short stacking energy: -640.211
Base-Backbone interact. energy: -1.760
local terms energy: -695.430794
where:
bonds (distance) C4'-P energy: -133.200
bonds (distance) P-C4' energy: -126.051
flat angles C4'-P-C4' energy: -146.857
flat angles P-C4'-P energy: -101.571
tors. eta vs tors. theta energy: -187.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2213.091141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.091141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.091141 (E_RNA)
where:
Base-Base interactions energy: -1492.146
where: short stacking energy: -672.046
Base-Backbone interact. energy: -2.341
local terms energy: -718.604640
where:
bonds (distance) C4'-P energy: -116.690
bonds (distance) P-C4' energy: -135.453
flat angles C4'-P-C4' energy: -157.301
flat angles P-C4'-P energy: -101.778
tors. eta vs tors. theta energy: -207.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2097.457019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.457019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.457019 (E_RNA)
where:
Base-Base interactions energy: -1410.524
where: short stacking energy: -593.972
Base-Backbone interact. energy: 2.593
local terms energy: -689.526048
where:
bonds (distance) C4'-P energy: -140.869
bonds (distance) P-C4' energy: -131.007
flat angles C4'-P-C4' energy: -143.405
flat angles P-C4'-P energy: -93.257
tors. eta vs tors. theta energy: -180.988
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: 175
Temperature: 1.050000
Total energy: -2126.761841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.761841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.761841 (E_RNA)
where:
Base-Base interactions energy: -1448.957
where: short stacking energy: -624.282
Base-Backbone interact. energy: -3.235
local terms energy: -674.569819
where:
bonds (distance) C4'-P energy: -120.515
bonds (distance) P-C4' energy: -130.339
flat angles C4'-P-C4' energy: -137.147
flat angles P-C4'-P energy: -96.960
tors. eta vs tors. theta energy: -189.609
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: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1770.568272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.568272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.568272 (E_RNA)
where:
Base-Base interactions energy: -1195.665
where: short stacking energy: -515.324
Base-Backbone interact. energy: 0.815
local terms energy: -575.718988
where:
bonds (distance) C4'-P energy: -113.152
bonds (distance) P-C4' energy: -124.644
flat angles C4'-P-C4' energy: -128.772
flat angles P-C4'-P energy: -69.055
tors. eta vs tors. theta energy: -140.097
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: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1670.404048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.404048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.404048 (E_RNA)
where:
Base-Base interactions energy: -1140.464
where: short stacking energy: -506.257
Base-Backbone interact. energy: -2.589
local terms energy: -527.351053
where:
bonds (distance) C4'-P energy: -90.406
bonds (distance) P-C4' energy: -109.027
flat angles C4'-P-C4' energy: -115.132
flat angles P-C4'-P energy: -75.734
tors. eta vs tors. theta energy: -137.052
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: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1546.816343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.816343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.816343 (E_RNA)
where:
Base-Base interactions energy: -1026.394
where: short stacking energy: -446.379
Base-Backbone interact. energy: -3.681
local terms energy: -516.741494
where:
bonds (distance) C4'-P energy: -116.772
bonds (distance) P-C4' energy: -104.727
flat angles C4'-P-C4' energy: -112.603
flat angles P-C4'-P energy: -75.484
tors. eta vs tors. theta energy: -107.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1117.198825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.198825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.198825 (E_RNA)
where:
Base-Base interactions energy: -667.328
where: short stacking energy: -358.390
Base-Backbone interact. energy: 7.136
local terms energy: -457.006619
where:
bonds (distance) C4'-P energy: -117.152
bonds (distance) P-C4' energy: -116.965
flat angles C4'-P-C4' energy: -99.173
flat angles P-C4'-P energy: -63.705
tors. eta vs tors. theta energy: -60.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1031.672066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.672066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.672066 (E_RNA)
where:
Base-Base interactions energy: -612.656
where: short stacking energy: -285.250
Base-Backbone interact. energy: 1.219
local terms energy: -420.235191
where:
bonds (distance) C4'-P energy: -99.031
bonds (distance) P-C4' energy: -105.596
flat angles C4'-P-C4' energy: -117.336
flat angles P-C4'-P energy: -52.206
tors. eta vs tors. theta energy: -46.066
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: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -776.905720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.905720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.905720 (E_RNA)
where:
Base-Base interactions energy: -425.338
where: short stacking energy: -246.550
Base-Backbone interact. energy: 5.747
local terms energy: -357.314765
where:
bonds (distance) C4'-P energy: -108.129
bonds (distance) P-C4' energy: -105.088
flat angles C4'-P-C4' energy: -96.142
flat angles P-C4'-P energy: -34.344
tors. eta vs tors. theta energy: -13.611
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: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2248.963446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.963446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.963446 (E_RNA)
where:
Base-Base interactions energy: -1552.960
where: short stacking energy: -643.288
Base-Backbone interact. energy: 2.220
local terms energy: -698.222767
where:
bonds (distance) C4'-P energy: -131.186
bonds (distance) P-C4' energy: -135.366
flat angles C4'-P-C4' energy: -145.043
flat angles P-C4'-P energy: -95.233
tors. eta vs tors. theta energy: -191.395
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: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2194.242250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.242250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.242250 (E_RNA)
where:
Base-Base interactions energy: -1503.991
where: short stacking energy: -660.814
Base-Backbone interact. energy: 0.201
local terms energy: -690.452014
where:
bonds (distance) C4'-P energy: -126.629
bonds (distance) P-C4' energy: -123.987
flat angles C4'-P-C4' energy: -140.691
flat angles P-C4'-P energy: -102.992
tors. eta vs tors. theta energy: -196.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2113.807482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.807482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.807482 (E_RNA)
where:
Base-Base interactions energy: -1419.328
where: short stacking energy: -608.710
Base-Backbone interact. energy: -1.985
local terms energy: -692.494620
where:
bonds (distance) C4'-P energy: -109.514
bonds (distance) P-C4' energy: -143.171
flat angles C4'-P-C4' energy: -151.864
flat angles P-C4'-P energy: -88.556
tors. eta vs tors. theta energy: -199.389
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: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2009.685044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.685044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.685044 (E_RNA)
where:
Base-Base interactions energy: -1387.478
where: short stacking energy: -576.224
Base-Backbone interact. energy: -2.326
local terms energy: -619.881543
where:
bonds (distance) C4'-P energy: -116.526
bonds (distance) P-C4' energy: -123.454
flat angles C4'-P-C4' energy: -133.905
flat angles P-C4'-P energy: -87.351
tors. eta vs tors. theta energy: -158.647
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: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1755.642400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.642400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.642400 (E_RNA)
where:
Base-Base interactions energy: -1187.517
where: short stacking energy: -520.084
Base-Backbone interact. energy: -2.771
local terms energy: -565.354364
where:
bonds (distance) C4'-P energy: -127.403
bonds (distance) P-C4' energy: -111.147
flat angles C4'-P-C4' energy: -129.834
flat angles P-C4'-P energy: -76.643
tors. eta vs tors. theta energy: -120.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1699.226092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.226092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.226092 (E_RNA)
where:
Base-Base interactions energy: -1145.105
where: short stacking energy: -476.710
Base-Backbone interact. energy: -2.213
local terms energy: -551.907669
where:
bonds (distance) C4'-P energy: -104.216
bonds (distance) P-C4' energy: -120.152
flat angles C4'-P-C4' energy: -122.816
flat angles P-C4'-P energy: -76.884
tors. eta vs tors. theta energy: -127.840
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: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1504.211671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.211671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.211671 (E_RNA)
where:
Base-Base interactions energy: -954.837
where: short stacking energy: -436.115
Base-Backbone interact. energy: -0.387
local terms energy: -548.987832
where:
bonds (distance) C4'-P energy: -121.830
bonds (distance) P-C4' energy: -127.766
flat angles C4'-P-C4' energy: -133.719
flat angles P-C4'-P energy: -78.366
tors. eta vs tors. theta energy: -87.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1068.514339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.514339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.514339 (E_RNA)
where:
Base-Base interactions energy: -621.256
where: short stacking energy: -288.996
Base-Backbone interact. energy: 0.144
local terms energy: -447.402289
where:
bonds (distance) C4'-P energy: -105.973
bonds (distance) P-C4' energy: -113.034
flat angles C4'-P-C4' energy: -105.043
flat angles P-C4'-P energy: -67.286
tors. eta vs tors. theta energy: -56.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1027.116662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.116662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.116662 (E_RNA)
where:
Base-Base interactions energy: -606.183
where: short stacking energy: -264.137
Base-Backbone interact. energy: -0.497
local terms energy: -420.437028
where:
bonds (distance) C4'-P energy: -134.600
bonds (distance) P-C4' energy: -107.235
flat angles C4'-P-C4' energy: -95.608
flat angles P-C4'-P energy: -69.086
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -750.470992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.470992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.470992 (E_RNA)
where:
Base-Base interactions energy: -362.302
where: short stacking energy: -192.250
Base-Backbone interact. energy: 3.285
local terms energy: -391.454520
where:
bonds (distance) C4'-P energy: -103.278
bonds (distance) P-C4' energy: -96.283
flat angles C4'-P-C4' energy: -105.684
flat angles P-C4'-P energy: -77.272
tors. eta vs tors. theta energy: -8.938
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: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2216.698717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.698717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.698717 (E_RNA)
where:
Base-Base interactions energy: -1523.536
where: short stacking energy: -646.689
Base-Backbone interact. energy: -0.714
local terms energy: -692.449310
where:
bonds (distance) C4'-P energy: -125.860
bonds (distance) P-C4' energy: -136.208
flat angles C4'-P-C4' energy: -139.720
flat angles P-C4'-P energy: -104.157
tors. eta vs tors. theta energy: -186.504
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: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2195.748692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.748692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.748692 (E_RNA)
where:
Base-Base interactions energy: -1496.862
where: short stacking energy: -662.873
Base-Backbone interact. energy: 2.887
local terms energy: -701.773880
where:
bonds (distance) C4'-P energy: -127.420
bonds (distance) P-C4' energy: -128.700
flat angles C4'-P-C4' energy: -147.753
flat angles P-C4'-P energy: -92.660
tors. eta vs tors. theta energy: -205.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2145.974331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.974331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.974331 (E_RNA)
where:
Base-Base interactions energy: -1453.771
where: short stacking energy: -633.300
Base-Backbone interact. energy: 2.182
local terms energy: -694.385323
where:
bonds (distance) C4'-P energy: -128.915
bonds (distance) P-C4' energy: -118.588
flat angles C4'-P-C4' energy: -150.862
flat angles P-C4'-P energy: -100.986
tors. eta vs tors. theta energy: -195.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1991.496148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.496148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.496148 (E_RNA)
where:
Base-Base interactions energy: -1376.292
where: short stacking energy: -556.051
Base-Backbone interact. energy: 5.038
local terms energy: -620.243001
where:
bonds (distance) C4'-P energy: -125.148
bonds (distance) P-C4' energy: -126.472
flat angles C4'-P-C4' energy: -142.409
flat angles P-C4'-P energy: -90.214
tors. eta vs tors. theta energy: -136.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1788.529484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.529484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.529484 (E_RNA)
where:
Base-Base interactions energy: -1158.442
where: short stacking energy: -507.582
Base-Backbone interact. energy: -2.466
local terms energy: -627.621382
where:
bonds (distance) C4'-P energy: -120.257
bonds (distance) P-C4' energy: -130.246
flat angles C4'-P-C4' energy: -134.370
flat angles P-C4'-P energy: -91.170
tors. eta vs tors. theta energy: -151.578
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: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1727.621699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.621699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.621699 (E_RNA)
where:
Base-Base interactions energy: -1131.482
where: short stacking energy: -497.984
Base-Backbone interact. energy: -0.889
local terms energy: -595.250548
where:
bonds (distance) C4'-P energy: -112.187
bonds (distance) P-C4' energy: -131.254
flat angles C4'-P-C4' energy: -126.859
flat angles P-C4'-P energy: -91.258
tors. eta vs tors. theta energy: -133.692
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: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1478.250380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.250380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.250380 (E_RNA)
where:
Base-Base interactions energy: -945.641
where: short stacking energy: -422.865
Base-Backbone interact. energy: -2.738
local terms energy: -529.871095
where:
bonds (distance) C4'-P energy: -113.217
bonds (distance) P-C4' energy: -124.890
flat angles C4'-P-C4' energy: -122.236
flat angles P-C4'-P energy: -72.724
tors. eta vs tors. theta energy: -96.803
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: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1083.339693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.339693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.339693 (E_RNA)
where:
Base-Base interactions energy: -650.133
where: short stacking energy: -333.284
Base-Backbone interact. energy: 0.832
local terms energy: -434.039193
where:
bonds (distance) C4'-P energy: -113.782
bonds (distance) P-C4' energy: -85.767
flat angles C4'-P-C4' energy: -114.900
flat angles P-C4'-P energy: -68.017
tors. eta vs tors. theta energy: -51.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1064.332509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.332509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.332509 (E_RNA)
where:
Base-Base interactions energy: -647.811
where: short stacking energy: -316.817
Base-Backbone interact. energy: 2.029
local terms energy: -418.550922
where:
bonds (distance) C4'-P energy: -97.987
bonds (distance) P-C4' energy: -113.483
flat angles C4'-P-C4' energy: -98.176
flat angles P-C4'-P energy: -72.780
tors. eta vs tors. theta energy: -36.125
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: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -757.120339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.120339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.120339 (E_RNA)
where:
Base-Base interactions energy: -376.142
where: short stacking energy: -222.374
Base-Backbone interact. energy: 0.565
local terms energy: -381.543472
where:
bonds (distance) C4'-P energy: -109.532
bonds (distance) P-C4' energy: -114.139
flat angles C4'-P-C4' energy: -103.822
flat angles P-C4'-P energy: -49.080
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2248.136749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.136749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.136749 (E_RNA)
where:
Base-Base interactions energy: -1518.266
where: short stacking energy: -678.811
Base-Backbone interact. energy: -0.390
local terms energy: -729.480940
where:
bonds (distance) C4'-P energy: -125.435
bonds (distance) P-C4' energy: -148.462
flat angles C4'-P-C4' energy: -142.758
flat angles P-C4'-P energy: -103.492
tors. eta vs tors. theta energy: -209.334
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: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2130.878757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.878757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.878757 (E_RNA)
where:
Base-Base interactions energy: -1470.844
where: short stacking energy: -627.761
Base-Backbone interact. energy: -1.579
local terms energy: -658.455101
where:
bonds (distance) C4'-P energy: -124.152
bonds (distance) P-C4' energy: -117.342
flat angles C4'-P-C4' energy: -141.256
flat angles P-C4'-P energy: -100.812
tors. eta vs tors. theta energy: -174.892
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: 3, replica: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2126.239300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.239300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.239300 (E_RNA)
where:
Base-Base interactions energy: -1451.668
where: short stacking energy: -604.857
Base-Backbone interact. energy: -0.832
local terms energy: -673.738561
where:
bonds (distance) C4'-P energy: -123.876
bonds (distance) P-C4' energy: -117.500
flat angles C4'-P-C4' energy: -137.022
flat angles P-C4'-P energy: -111.840
tors. eta vs tors. theta energy: -183.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2056.939913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.939913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.939913 (E_RNA)
where:
Base-Base interactions energy: -1427.507
where: short stacking energy: -580.130
Base-Backbone interact. energy: -2.564
local terms energy: -626.869590
where:
bonds (distance) C4'-P energy: -110.843
bonds (distance) P-C4' energy: -132.831
flat angles C4'-P-C4' energy: -133.736
flat angles P-C4'-P energy: -86.277
tors. eta vs tors. theta energy: -163.182
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: 178
Temperature: 1.100000
Total energy: -1770.361364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.361364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.361364 (E_RNA)
where:
Base-Base interactions energy: -1206.444
where: short stacking energy: -526.901
Base-Backbone interact. energy: -2.437
local terms energy: -561.480187
where:
bonds (distance) C4'-P energy: -87.955
bonds (distance) P-C4' energy: -130.041
flat angles C4'-P-C4' energy: -132.840
flat angles P-C4'-P energy: -71.370
tors. eta vs tors. theta energy: -139.275
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: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1735.918264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.918264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.918264 (E_RNA)
where:
Base-Base interactions energy: -1162.788
where: short stacking energy: -524.249
Base-Backbone interact. energy: -0.932
local terms energy: -572.198263
where:
bonds (distance) C4'-P energy: -114.744
bonds (distance) P-C4' energy: -100.777
flat angles C4'-P-C4' energy: -128.903
flat angles P-C4'-P energy: -78.934
tors. eta vs tors. theta energy: -148.840
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: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1558.202349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.202349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.202349 (E_RNA)
where:
Base-Base interactions energy: -1047.982
where: short stacking energy: -455.142
Base-Backbone interact. energy: -0.266
local terms energy: -509.953577
where:
bonds (distance) C4'-P energy: -101.359
bonds (distance) P-C4' energy: -118.997
flat angles C4'-P-C4' energy: -122.173
flat angles P-C4'-P energy: -67.275
tors. eta vs tors. theta energy: -100.151
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: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1081.734143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.734143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.734143 (E_RNA)
where:
Base-Base interactions energy: -666.435
where: short stacking energy: -313.084
Base-Backbone interact. energy: -1.238
local terms energy: -414.061612
where:
bonds (distance) C4'-P energy: -90.119
bonds (distance) P-C4' energy: -110.548
flat angles C4'-P-C4' energy: -98.560
flat angles P-C4'-P energy: -71.936
tors. eta vs tors. theta energy: -42.898
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: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1017.557397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.557397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.557397 (E_RNA)
where:
Base-Base interactions energy: -611.830
where: short stacking energy: -306.688
Base-Backbone interact. energy: 0.394
local terms energy: -406.121489
where:
bonds (distance) C4'-P energy: -104.242
bonds (distance) P-C4' energy: -100.594
flat angles C4'-P-C4' energy: -100.545
flat angles P-C4'-P energy: -69.544
tors. eta vs tors. theta energy: -31.197
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: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -783.677000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.677000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.677000 (E_RNA)
where:
Base-Base interactions energy: -414.587
where: short stacking energy: -227.488
Base-Backbone interact. energy: 4.412
local terms energy: -373.501500
where:
bonds (distance) C4'-P energy: -94.754
bonds (distance) P-C4' energy: -113.420
flat angles C4'-P-C4' energy: -115.397
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2264.242884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.242884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.242884 (E_RNA)
where:
Base-Base interactions energy: -1545.541
where: short stacking energy: -671.023
Base-Backbone interact. energy: -1.566
local terms energy: -717.135478
where:
bonds (distance) C4'-P energy: -125.087
bonds (distance) P-C4' energy: -126.390
flat angles C4'-P-C4' energy: -156.559
flat angles P-C4'-P energy: -102.095
tors. eta vs tors. theta energy: -207.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2202.862136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.862136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.862136 (E_RNA)
where:
Base-Base interactions energy: -1497.225
where: short stacking energy: -651.206
Base-Backbone interact. energy: -1.503
local terms energy: -704.133985
where:
bonds (distance) C4'-P energy: -119.718
bonds (distance) P-C4' energy: -138.503
flat angles C4'-P-C4' energy: -157.467
flat angles P-C4'-P energy: -100.314
tors. eta vs tors. theta energy: -188.131
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: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2091.405255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.405255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.405255 (E_RNA)
where:
Base-Base interactions energy: -1437.560
where: short stacking energy: -638.423
Base-Backbone interact. energy: -3.445
local terms energy: -650.400489
where:
bonds (distance) C4'-P energy: -117.398
bonds (distance) P-C4' energy: -130.380
flat angles C4'-P-C4' energy: -149.138
flat angles P-C4'-P energy: -76.969
tors. eta vs tors. theta energy: -176.515
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: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2069.559178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.559178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.559178 (E_RNA)
where:
Base-Base interactions energy: -1436.513
where: short stacking energy: -595.773
Base-Backbone interact. energy: -1.397
local terms energy: -631.649211
where:
bonds (distance) C4'-P energy: -119.267
bonds (distance) P-C4' energy: -114.941
flat angles C4'-P-C4' energy: -132.687
flat angles P-C4'-P energy: -86.451
tors. eta vs tors. theta energy: -178.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1788.307182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.307182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.307182 (E_RNA)
where:
Base-Base interactions energy: -1193.701
where: short stacking energy: -500.124
Base-Backbone interact. energy: 3.124
local terms energy: -597.730066
where:
bonds (distance) C4'-P energy: -121.739
bonds (distance) P-C4' energy: -123.774
flat angles C4'-P-C4' energy: -127.740
flat angles P-C4'-P energy: -81.033
tors. eta vs tors. theta energy: -143.445
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: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1672.395520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.395520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.395520 (E_RNA)
where:
Base-Base interactions energy: -1130.619
where: short stacking energy: -489.467
Base-Backbone interact. energy: 2.529
local terms energy: -544.305937
where:
bonds (distance) C4'-P energy: -109.164
bonds (distance) P-C4' energy: -107.565
flat angles C4'-P-C4' energy: -123.101
flat angles P-C4'-P energy: -66.488
tors. eta vs tors. theta energy: -137.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1502.576970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.576970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.576970 (E_RNA)
where:
Base-Base interactions energy: -912.985
where: short stacking energy: -406.740
Base-Backbone interact. energy: -1.316
local terms energy: -588.275766
where:
bonds (distance) C4'-P energy: -117.770
bonds (distance) P-C4' energy: -123.739
flat angles C4'-P-C4' energy: -142.947
flat angles P-C4'-P energy: -100.729
tors. eta vs tors. theta energy: -103.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1073.547486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.547486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.547486 (E_RNA)
where:
Base-Base interactions energy: -616.323
where: short stacking energy: -293.827
Base-Backbone interact. energy: -1.930
local terms energy: -455.294176
where:
bonds (distance) C4'-P energy: -109.507
bonds (distance) P-C4' energy: -110.356
flat angles C4'-P-C4' energy: -114.845
flat angles P-C4'-P energy: -71.647
tors. eta vs tors. theta energy: -48.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1075.671811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.671811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.671811 (E_RNA)
where:
Base-Base interactions energy: -619.842
where: short stacking energy: -304.074
Base-Backbone interact. energy: -1.466
local terms energy: -454.363068
where:
bonds (distance) C4'-P energy: -111.078
bonds (distance) P-C4' energy: -98.271
flat angles C4'-P-C4' energy: -108.518
flat angles P-C4'-P energy: -75.332
tors. eta vs tors. theta energy: -61.165
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: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -800.192785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.192785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.192785 (E_RNA)
where:
Base-Base interactions energy: -420.876
where: short stacking energy: -215.124
Base-Backbone interact. energy: 3.357
local terms energy: -382.673488
where:
bonds (distance) C4'-P energy: -100.840
bonds (distance) P-C4' energy: -96.251
flat angles C4'-P-C4' energy: -98.444
flat angles P-C4'-P energy: -69.748
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2281.179306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.179306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.179306 (E_RNA)
where:
Base-Base interactions energy: -1568.252
where: short stacking energy: -688.722
Base-Backbone interact. energy: 0.022
local terms energy: -712.948629
where:
bonds (distance) C4'-P energy: -126.751
bonds (distance) P-C4' energy: -139.646
flat angles C4'-P-C4' energy: -153.265
flat angles P-C4'-P energy: -96.687
tors. eta vs tors. theta energy: -196.600
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: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2180.592381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.592381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.592381 (E_RNA)
where:
Base-Base interactions energy: -1465.317
where: short stacking energy: -638.039
Base-Backbone interact. energy: -3.140
local terms energy: -712.135304
where:
bonds (distance) C4'-P energy: -144.356
bonds (distance) P-C4' energy: -133.695
flat angles C4'-P-C4' energy: -149.033
flat angles P-C4'-P energy: -95.829
tors. eta vs tors. theta energy: -189.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2092.335779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.335779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.335779 (E_RNA)
where:
Base-Base interactions energy: -1416.395
where: short stacking energy: -616.023
Base-Backbone interact. energy: -1.559
local terms energy: -674.382195
where:
bonds (distance) C4'-P energy: -120.239
bonds (distance) P-C4' energy: -126.904
flat angles C4'-P-C4' energy: -141.836
flat angles P-C4'-P energy: -96.506
tors. eta vs tors. theta energy: -188.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1993.795160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.795160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.795160 (E_RNA)
where:
Base-Base interactions energy: -1364.620
where: short stacking energy: -579.984
Base-Backbone interact. energy: -2.293
local terms energy: -626.882448
where:
bonds (distance) C4'-P energy: -116.745
bonds (distance) P-C4' energy: -124.779
flat angles C4'-P-C4' energy: -140.692
flat angles P-C4'-P energy: -80.166
tors. eta vs tors. theta energy: -164.501
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: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1802.567182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.567182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.567182 (E_RNA)
where:
Base-Base interactions energy: -1167.609
where: short stacking energy: -522.635
Base-Backbone interact. energy: -2.929
local terms energy: -632.029374
where:
bonds (distance) C4'-P energy: -111.806
bonds (distance) P-C4' energy: -141.173
flat angles C4'-P-C4' energy: -126.931
flat angles P-C4'-P energy: -97.459
tors. eta vs tors. theta energy: -154.659
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: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1677.953917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.953917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.953917 (E_RNA)
where:
Base-Base interactions energy: -1131.137
where: short stacking energy: -506.201
Base-Backbone interact. energy: -2.007
local terms energy: -544.809492
where:
bonds (distance) C4'-P energy: -110.103
bonds (distance) P-C4' energy: -118.596
flat angles C4'-P-C4' energy: -115.137
flat angles P-C4'-P energy: -77.738
tors. eta vs tors. theta energy: -123.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1552.593098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.593098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.593098 (E_RNA)
where:
Base-Base interactions energy: -1019.849
where: short stacking energy: -458.458
Base-Backbone interact. energy: 3.458
local terms energy: -536.202029
where:
bonds (distance) C4'-P energy: -115.130
bonds (distance) P-C4' energy: -109.655
flat angles C4'-P-C4' energy: -120.177
flat angles P-C4'-P energy: -85.121
tors. eta vs tors. theta energy: -106.120
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: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1053.702686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.702686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.702686 (E_RNA)
where:
Base-Base interactions energy: -610.231
where: short stacking energy: -301.164
Base-Backbone interact. energy: -1.116
local terms energy: -442.356012
where:
bonds (distance) C4'-P energy: -107.444
bonds (distance) P-C4' energy: -113.464
flat angles C4'-P-C4' energy: -92.854
flat angles P-C4'-P energy: -71.409
tors. eta vs tors. theta energy: -57.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1065.611434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.611434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.611434 (E_RNA)
where:
Base-Base interactions energy: -657.379
where: short stacking energy: -280.798
Base-Backbone interact. energy: -1.525
local terms energy: -406.707136
where:
bonds (distance) C4'-P energy: -101.624
bonds (distance) P-C4' energy: -118.832
flat angles C4'-P-C4' energy: -101.831
flat angles P-C4'-P energy: -55.955
tors. eta vs tors. theta energy: -28.466
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: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -758.893703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.893703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.893703 (E_RNA)
where:
Base-Base interactions energy: -424.686
where: short stacking energy: -252.268
Base-Backbone interact. energy: 1.833
local terms energy: -336.040886
where:
bonds (distance) C4'-P energy: -90.575
bonds (distance) P-C4' energy: -112.781
flat angles C4'-P-C4' energy: -84.120
flat angles P-C4'-P energy: -46.349
tors. eta vs tors. theta energy: -2.216
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: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2280.882748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.882748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.882748 (E_RNA)
where:
Base-Base interactions energy: -1543.423
where: short stacking energy: -671.807
Base-Backbone interact. energy: 2.147
local terms energy: -739.606667
where:
bonds (distance) C4'-P energy: -137.092
bonds (distance) P-C4' energy: -138.412
flat angles C4'-P-C4' energy: -157.549
flat angles P-C4'-P energy: -100.098
tors. eta vs tors. theta energy: -206.456
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: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2192.069864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.069864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.069864 (E_RNA)
where:
Base-Base interactions energy: -1492.910
where: short stacking energy: -657.499
Base-Backbone interact. energy: -2.092
local terms energy: -697.067429
where:
bonds (distance) C4'-P energy: -145.254
bonds (distance) P-C4' energy: -116.424
flat angles C4'-P-C4' energy: -143.570
flat angles P-C4'-P energy: -99.004
tors. eta vs tors. theta energy: -192.815
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: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2088.934021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.934021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.934021 (E_RNA)
where:
Base-Base interactions energy: -1424.052
where: short stacking energy: -608.214
Base-Backbone interact. energy: -1.668
local terms energy: -663.214151
where:
bonds (distance) C4'-P energy: -137.385
bonds (distance) P-C4' energy: -128.747
flat angles C4'-P-C4' energy: -142.559
flat angles P-C4'-P energy: -97.146
tors. eta vs tors. theta energy: -157.378
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: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1997.117506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.117506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.117506 (E_RNA)
where:
Base-Base interactions energy: -1385.405
where: short stacking energy: -591.523
Base-Backbone interact. energy: -2.974
local terms energy: -608.738832
where:
bonds (distance) C4'-P energy: -103.991
bonds (distance) P-C4' energy: -114.569
flat angles C4'-P-C4' energy: -138.872
flat angles P-C4'-P energy: -85.784
tors. eta vs tors. theta energy: -165.522
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: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1749.327978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.327978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.327978 (E_RNA)
where:
Base-Base interactions energy: -1145.389
where: short stacking energy: -488.254
Base-Backbone interact. energy: 1.770
local terms energy: -605.708859
where:
bonds (distance) C4'-P energy: -117.075
bonds (distance) P-C4' energy: -117.520
flat angles C4'-P-C4' energy: -127.444
flat angles P-C4'-P energy: -105.235
tors. eta vs tors. theta energy: -138.435
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: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1681.418057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.418057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.418057 (E_RNA)
where:
Base-Base interactions energy: -1074.050
where: short stacking energy: -482.977
Base-Backbone interact. energy: -3.295
local terms energy: -604.073011
where:
bonds (distance) C4'-P energy: -114.782
bonds (distance) P-C4' energy: -127.459
flat angles C4'-P-C4' energy: -143.483
flat angles P-C4'-P energy: -84.564
tors. eta vs tors. theta energy: -133.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1477.170146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.170146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.170146 (E_RNA)
where:
Base-Base interactions energy: -965.282
where: short stacking energy: -435.387
Base-Backbone interact. energy: -2.123
local terms energy: -509.764240
where:
bonds (distance) C4'-P energy: -119.025
bonds (distance) P-C4' energy: -102.118
flat angles C4'-P-C4' energy: -128.889
flat angles P-C4'-P energy: -73.834
tors. eta vs tors. theta energy: -85.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1068.758542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.758542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.758542 (E_RNA)
where:
Base-Base interactions energy: -637.149
where: short stacking energy: -297.960
Base-Backbone interact. energy: -1.115
local terms energy: -430.494451
where:
bonds (distance) C4'-P energy: -100.711
bonds (distance) P-C4' energy: -120.107
flat angles C4'-P-C4' energy: -109.693
flat angles P-C4'-P energy: -63.552
tors. eta vs tors. theta energy: -36.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1101.056614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.056614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.056614 (E_RNA)
where:
Base-Base interactions energy: -670.543
where: short stacking energy: -317.185
Base-Backbone interact. energy: -0.640
local terms energy: -429.874237
where:
bonds (distance) C4'-P energy: -114.386
bonds (distance) P-C4' energy: -103.096
flat angles C4'-P-C4' energy: -107.018
flat angles P-C4'-P energy: -65.064
tors. eta vs tors. theta energy: -40.310
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: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -739.146856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.146856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.146856 (E_RNA)
where:
Base-Base interactions energy: -369.901
where: short stacking energy: -208.244
Base-Backbone interact. energy: 3.067
local terms energy: -372.312646
where:
bonds (distance) C4'-P energy: -112.028
bonds (distance) P-C4' energy: -99.555
flat angles C4'-P-C4' energy: -107.419
flat angles P-C4'-P energy: -49.975
tors. eta vs tors. theta energy: -3.336
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: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2259.465903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.465903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.465903 (E_RNA)
where:
Base-Base interactions energy: -1552.209
where: short stacking energy: -697.591
Base-Backbone interact. energy: -1.729
local terms energy: -705.528149
where:
bonds (distance) C4'-P energy: -125.531
bonds (distance) P-C4' energy: -137.136
flat angles C4'-P-C4' energy: -134.539
flat angles P-C4'-P energy: -114.174
tors. eta vs tors. theta energy: -194.148
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: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2227.596650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.596650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.596650 (E_RNA)
where:
Base-Base interactions energy: -1515.330
where: short stacking energy: -661.185
Base-Backbone interact. energy: -1.173
local terms energy: -711.093819
where:
bonds (distance) C4'-P energy: -118.374
bonds (distance) P-C4' energy: -141.911
flat angles C4'-P-C4' energy: -153.277
flat angles P-C4'-P energy: -100.676
tors. eta vs tors. theta energy: -196.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2055.919795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.919795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.919795 (E_RNA)
where:
Base-Base interactions energy: -1426.507
where: short stacking energy: -602.489
Base-Backbone interact. energy: -3.034
local terms energy: -626.378757
where:
bonds (distance) C4'-P energy: -120.221
bonds (distance) P-C4' energy: -127.855
flat angles C4'-P-C4' energy: -137.258
flat angles P-C4'-P energy: -80.512
tors. eta vs tors. theta energy: -160.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2010.418179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.418179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.418179 (E_RNA)
where:
Base-Base interactions energy: -1389.390
where: short stacking energy: -639.626
Base-Backbone interact. energy: -3.020
local terms energy: -618.007748
where:
bonds (distance) C4'-P energy: -102.910
bonds (distance) P-C4' energy: -117.975
flat angles C4'-P-C4' energy: -142.391
flat angles P-C4'-P energy: -83.468
tors. eta vs tors. theta energy: -171.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1763.835090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.835090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.835090 (E_RNA)
where:
Base-Base interactions energy: -1177.422
where: short stacking energy: -513.776
Base-Backbone interact. energy: 0.181
local terms energy: -586.594148
where:
bonds (distance) C4'-P energy: -120.035
bonds (distance) P-C4' energy: -124.727
flat angles C4'-P-C4' energy: -133.295
flat angles P-C4'-P energy: -88.241
tors. eta vs tors. theta energy: -120.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1649.920020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.920020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.920020 (E_RNA)
where:
Base-Base interactions energy: -1103.726
where: short stacking energy: -482.012
Base-Backbone interact. energy: 2.969
local terms energy: -549.163589
where:
bonds (distance) C4'-P energy: -103.278
bonds (distance) P-C4' energy: -111.400
flat angles C4'-P-C4' energy: -129.283
flat angles P-C4'-P energy: -79.023
tors. eta vs tors. theta energy: -126.179
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: 182
Temperature: 1.200000
Total energy: -1482.171300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.171300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.171300 (E_RNA)
where:
Base-Base interactions energy: -988.696
where: short stacking energy: -440.260
Base-Backbone interact. energy: -1.932
local terms energy: -491.543671
where:
bonds (distance) C4'-P energy: -117.881
bonds (distance) P-C4' energy: -121.695
flat angles C4'-P-C4' energy: -96.534
flat angles P-C4'-P energy: -60.144
tors. eta vs tors. theta energy: -95.289
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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1040.020013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.020013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.020013 (E_RNA)
where:
Base-Base interactions energy: -603.512
where: short stacking energy: -299.640
Base-Backbone interact. energy: 1.259
local terms energy: -437.767696
where:
bonds (distance) C4'-P energy: -112.102
bonds (distance) P-C4' energy: -109.407
flat angles C4'-P-C4' energy: -106.007
flat angles P-C4'-P energy: -62.465
tors. eta vs tors. theta energy: -47.787
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: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1208.377868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.377868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.377868 (E_RNA)
where:
Base-Base interactions energy: -763.821
where: short stacking energy: -342.424
Base-Backbone interact. energy: -2.695
local terms energy: -441.861220
where:
bonds (distance) C4'-P energy: -100.235
bonds (distance) P-C4' energy: -109.001
flat angles C4'-P-C4' energy: -89.630
flat angles P-C4'-P energy: -72.662
tors. eta vs tors. theta energy: -70.334
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: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -744.432715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.432715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.432715 (E_RNA)
where:
Base-Base interactions energy: -361.646
where: short stacking energy: -205.928
Base-Backbone interact. energy: -1.387
local terms energy: -381.399241
where:
bonds (distance) C4'-P energy: -104.039
bonds (distance) P-C4' energy: -109.202
flat angles C4'-P-C4' energy: -101.781
flat angles P-C4'-P energy: -53.515
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2239.571750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.571750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.571750 (E_RNA)
where:
Base-Base interactions energy: -1509.899
where: short stacking energy: -668.715
Base-Backbone interact. energy: -0.071
local terms energy: -729.601360
where:
bonds (distance) C4'-P energy: -128.986
bonds (distance) P-C4' energy: -143.911
flat angles C4'-P-C4' energy: -158.687
flat angles P-C4'-P energy: -98.160
tors. eta vs tors. theta energy: -199.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2205.836462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.836462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.836462 (E_RNA)
where:
Base-Base interactions energy: -1514.350
where: short stacking energy: -671.738
Base-Backbone interact. energy: -2.823
local terms energy: -688.662686
where:
bonds (distance) C4'-P energy: -108.791
bonds (distance) P-C4' energy: -120.883
flat angles C4'-P-C4' energy: -151.215
flat angles P-C4'-P energy: -108.776
tors. eta vs tors. theta energy: -198.997
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: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2084.664331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.664331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.664331 (E_RNA)
where:
Base-Base interactions energy: -1445.722
where: short stacking energy: -618.226
Base-Backbone interact. energy: -2.406
local terms energy: -636.536164
where:
bonds (distance) C4'-P energy: -126.212
bonds (distance) P-C4' energy: -116.155
flat angles C4'-P-C4' energy: -145.118
flat angles P-C4'-P energy: -77.671
tors. eta vs tors. theta energy: -171.379
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: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1991.749068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.749068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.749068 (E_RNA)
where:
Base-Base interactions energy: -1362.598
where: short stacking energy: -606.892
Base-Backbone interact. energy: 2.116
local terms energy: -631.267034
where:
bonds (distance) C4'-P energy: -119.182
bonds (distance) P-C4' energy: -122.899
flat angles C4'-P-C4' energy: -127.101
flat angles P-C4'-P energy: -93.482
tors. eta vs tors. theta energy: -168.603
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: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1800.423037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.423037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.423037 (E_RNA)
where:
Base-Base interactions energy: -1201.792
where: short stacking energy: -547.725
Base-Backbone interact. energy: -2.919
local terms energy: -595.711941
where:
bonds (distance) C4'-P energy: -123.901
bonds (distance) P-C4' energy: -120.177
flat angles C4'-P-C4' energy: -133.819
flat angles P-C4'-P energy: -76.733
tors. eta vs tors. theta energy: -141.081
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: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1684.659313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.659313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.659313 (E_RNA)
where:
Base-Base interactions energy: -1122.920
where: short stacking energy: -498.206
Base-Backbone interact. energy: 1.300
local terms energy: -563.039028
where:
bonds (distance) C4'-P energy: -117.430
bonds (distance) P-C4' energy: -114.071
flat angles C4'-P-C4' energy: -130.335
flat angles P-C4'-P energy: -81.209
tors. eta vs tors. theta energy: -119.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1460.106100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.106100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.106100 (E_RNA)
where:
Base-Base interactions energy: -957.818
where: short stacking energy: -433.205
Base-Backbone interact. energy: -1.961
local terms energy: -500.327328
where:
bonds (distance) C4'-P energy: -107.164
bonds (distance) P-C4' energy: -108.829
flat angles C4'-P-C4' energy: -115.781
flat angles P-C4'-P energy: -66.277
tors. eta vs tors. theta energy: -102.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1247.766704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.766704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.766704 (E_RNA)
where:
Base-Base interactions energy: -781.556
where: short stacking energy: -347.553
Base-Backbone interact. energy: 2.169
local terms energy: -468.379147
where:
bonds (distance) C4'-P energy: -108.218
bonds (distance) P-C4' energy: -111.269
flat angles C4'-P-C4' energy: -122.338
flat angles P-C4'-P energy: -66.159
tors. eta vs tors. theta energy: -60.395
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: 183
Temperature: 1.300000
Total energy: -1029.686955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.686955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.686955 (E_RNA)
where:
Base-Base interactions energy: -615.134
where: short stacking energy: -307.978
Base-Backbone interact. energy: -2.069
local terms energy: -412.483945
where:
bonds (distance) C4'-P energy: -112.972
bonds (distance) P-C4' energy: -104.814
flat angles C4'-P-C4' energy: -82.634
flat angles P-C4'-P energy: -58.355
tors. eta vs tors. theta energy: -53.707
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: 183
Temperature: 1.350000
Total energy: -721.230930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.230930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.230930 (E_RNA)
where:
Base-Base interactions energy: -365.480
where: short stacking energy: -218.159
Base-Backbone interact. energy: 2.320
local terms energy: -358.070738
where:
bonds (distance) C4'-P energy: -99.578
bonds (distance) P-C4' energy: -108.133
flat angles C4'-P-C4' energy: -97.187
flat angles P-C4'-P energy: -61.299
tors. eta vs tors. theta energy: 8.126
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: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2254.907693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.907693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.907693 (E_RNA)
where:
Base-Base interactions energy: -1558.539
where: short stacking energy: -683.461
Base-Backbone interact. energy: -4.826
local terms energy: -691.543451
where:
bonds (distance) C4'-P energy: -119.085
bonds (distance) P-C4' energy: -124.526
flat angles C4'-P-C4' energy: -150.231
flat angles P-C4'-P energy: -97.432
tors. eta vs tors. theta energy: -200.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2193.937510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.937510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.937510 (E_RNA)
where:
Base-Base interactions energy: -1493.793
where: short stacking energy: -663.652
Base-Backbone interact. energy: -0.935
local terms energy: -699.209270
where:
bonds (distance) C4'-P energy: -132.132
bonds (distance) P-C4' energy: -127.168
flat angles C4'-P-C4' energy: -147.325
flat angles P-C4'-P energy: -96.546
tors. eta vs tors. theta energy: -196.038
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: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2101.645949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.645949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.645949 (E_RNA)
where:
Base-Base interactions energy: -1440.088
where: short stacking energy: -629.133
Base-Backbone interact. energy: -1.736
local terms energy: -659.821252
where:
bonds (distance) C4'-P energy: -118.149
bonds (distance) P-C4' energy: -132.307
flat angles C4'-P-C4' energy: -145.208
flat angles P-C4'-P energy: -98.457
tors. eta vs tors. theta energy: -165.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1990.911217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.911217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.911217 (E_RNA)
where:
Base-Base interactions energy: -1352.984
where: short stacking energy: -597.206
Base-Backbone interact. energy: 1.914
local terms energy: -639.840677
where:
bonds (distance) C4'-P energy: -122.013
bonds (distance) P-C4' energy: -125.696
flat angles C4'-P-C4' energy: -138.968
flat angles P-C4'-P energy: -92.354
tors. eta vs tors. theta energy: -160.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1758.809704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.809704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.809704 (E_RNA)
where:
Base-Base interactions energy: -1225.817
where: short stacking energy: -495.365
Base-Backbone interact. energy: -0.701
local terms energy: -532.291682
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -112.881
flat angles C4'-P-C4' energy: -121.554
flat angles P-C4'-P energy: -62.581
tors. eta vs tors. theta energy: -130.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1597.135623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.135623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.135623 (E_RNA)
where:
Base-Base interactions energy: -1066.900
where: short stacking energy: -456.424
Base-Backbone interact. energy: 5.830
local terms energy: -536.065664
where:
bonds (distance) C4'-P energy: -108.509
bonds (distance) P-C4' energy: -109.613
flat angles C4'-P-C4' energy: -118.679
flat angles P-C4'-P energy: -81.822
tors. eta vs tors. theta energy: -117.442
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: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1454.747114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.747114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.747114 (E_RNA)
where:
Base-Base interactions energy: -964.286
where: short stacking energy: -416.417
Base-Backbone interact. energy: -1.811
local terms energy: -488.650657
where:
bonds (distance) C4'-P energy: -113.840
bonds (distance) P-C4' energy: -114.021
flat angles C4'-P-C4' energy: -102.292
flat angles P-C4'-P energy: -67.357
tors. eta vs tors. theta energy: -91.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1232.649033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.649033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.649033 (E_RNA)
where:
Base-Base interactions energy: -763.651
where: short stacking energy: -334.462
Base-Backbone interact. energy: -1.342
local terms energy: -467.656803
where:
bonds (distance) C4'-P energy: -102.017
bonds (distance) P-C4' energy: -108.857
flat angles C4'-P-C4' energy: -125.862
flat angles P-C4'-P energy: -65.816
tors. eta vs tors. theta energy: -65.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1037.821982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.821982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.821982 (E_RNA)
where:
Base-Base interactions energy: -635.462
where: short stacking energy: -289.451
Base-Backbone interact. energy: 1.678
local terms energy: -404.038082
where:
bonds (distance) C4'-P energy: -87.266
bonds (distance) P-C4' energy: -114.313
flat angles C4'-P-C4' energy: -93.495
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -32.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -755.010579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.010579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.010579 (E_RNA)
where:
Base-Base interactions energy: -417.652
where: short stacking energy: -221.195
Base-Backbone interact. energy: 1.610
local terms energy: -338.968531
where:
bonds (distance) C4'-P energy: -99.339
bonds (distance) P-C4' energy: -109.454
flat angles C4'-P-C4' energy: -97.931
flat angles P-C4'-P energy: -41.692
tors. eta vs tors. theta energy: 9.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2242.534310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.534310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.534310 (E_RNA)
where:
Base-Base interactions energy: -1523.590
where: short stacking energy: -681.139
Base-Backbone interact. energy: 4.746
local terms energy: -723.689874
where:
bonds (distance) C4'-P energy: -119.370
bonds (distance) P-C4' energy: -146.408
flat angles C4'-P-C4' energy: -151.390
flat angles P-C4'-P energy: -104.108
tors. eta vs tors. theta energy: -202.414
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: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2209.228093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.228093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.228093 (E_RNA)
where:
Base-Base interactions energy: -1516.505
where: short stacking energy: -664.738
Base-Backbone interact. energy: 1.256
local terms energy: -693.978970
where:
bonds (distance) C4'-P energy: -132.242
bonds (distance) P-C4' energy: -123.837
flat angles C4'-P-C4' energy: -143.265
flat angles P-C4'-P energy: -98.720
tors. eta vs tors. theta energy: -195.915
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: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2103.486629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.486629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.486629 (E_RNA)
where:
Base-Base interactions energy: -1453.179
where: short stacking energy: -605.092
Base-Backbone interact. energy: 5.146
local terms energy: -655.453936
where:
bonds (distance) C4'-P energy: -115.383
bonds (distance) P-C4' energy: -130.170
flat angles C4'-P-C4' energy: -143.810
flat angles P-C4'-P energy: -87.462
tors. eta vs tors. theta energy: -178.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2023.110534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.110534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.110534 (E_RNA)
where:
Base-Base interactions energy: -1396.151
where: short stacking energy: -600.850
Base-Backbone interact. energy: -3.432
local terms energy: -623.527465
where:
bonds (distance) C4'-P energy: -118.220
bonds (distance) P-C4' energy: -118.031
flat angles C4'-P-C4' energy: -126.844
flat angles P-C4'-P energy: -83.213
tors. eta vs tors. theta energy: -177.219
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1844.876460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.876460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.876460 (E_RNA)
where:
Base-Base interactions energy: -1275.627
where: short stacking energy: -560.877
Base-Backbone interact. energy: 1.925
local terms energy: -571.174630
where:
bonds (distance) C4'-P energy: -120.587
bonds (distance) P-C4' energy: -110.928
flat angles C4'-P-C4' energy: -105.493
flat angles P-C4'-P energy: -86.713
tors. eta vs tors. theta energy: -147.454
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: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1615.246643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.246643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.246643 (E_RNA)
where:
Base-Base interactions energy: -1049.594
where: short stacking energy: -457.618
Base-Backbone interact. energy: -0.597
local terms energy: -565.055949
where:
bonds (distance) C4'-P energy: -132.386
bonds (distance) P-C4' energy: -110.245
flat angles C4'-P-C4' energy: -132.793
flat angles P-C4'-P energy: -71.718
tors. eta vs tors. theta energy: -117.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1507.496910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.496910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.496910 (E_RNA)
where:
Base-Base interactions energy: -980.797
where: short stacking energy: -428.702
Base-Backbone interact. energy: -2.005
local terms energy: -524.695633
where:
bonds (distance) C4'-P energy: -107.636
bonds (distance) P-C4' energy: -123.944
flat angles C4'-P-C4' energy: -124.661
flat angles P-C4'-P energy: -67.178
tors. eta vs tors. theta energy: -101.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1045.147997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.147997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.147997 (E_RNA)
where:
Base-Base interactions energy: -627.710
where: short stacking energy: -303.801
Base-Backbone interact. energy: -1.355
local terms energy: -416.082725
where:
bonds (distance) C4'-P energy: -106.309
bonds (distance) P-C4' energy: -112.191
flat angles C4'-P-C4' energy: -103.908
flat angles P-C4'-P energy: -65.748
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: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1165.415775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.415775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.415775 (E_RNA)
where:
Base-Base interactions energy: -692.825
where: short stacking energy: -340.158
Base-Backbone interact. energy: 4.471
local terms energy: -477.062264
where:
bonds (distance) C4'-P energy: -107.669
bonds (distance) P-C4' energy: -116.020
flat angles C4'-P-C4' energy: -112.657
flat angles P-C4'-P energy: -84.213
tors. eta vs tors. theta energy: -56.503
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: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -770.689713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.689713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.689713 (E_RNA)
where:
Base-Base interactions energy: -397.558
where: short stacking energy: -193.419
Base-Backbone interact. energy: 0.197
local terms energy: -373.329597
where:
bonds (distance) C4'-P energy: -108.616
bonds (distance) P-C4' energy: -111.952
flat angles C4'-P-C4' energy: -80.440
flat angles P-C4'-P energy: -64.271
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: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2242.892029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.892029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.892029 (E_RNA)
where:
Base-Base interactions energy: -1529.163
where: short stacking energy: -695.470
Base-Backbone interact. energy: 0.366
local terms energy: -714.094731
where:
bonds (distance) C4'-P energy: -126.277
bonds (distance) P-C4' energy: -130.596
flat angles C4'-P-C4' energy: -155.461
flat angles P-C4'-P energy: -97.196
tors. eta vs tors. theta energy: -204.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2192.448182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.448182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.448182 (E_RNA)
where:
Base-Base interactions energy: -1488.143
where: short stacking energy: -686.007
Base-Backbone interact. energy: 0.773
local terms energy: -705.078381
where:
bonds (distance) C4'-P energy: -124.998
bonds (distance) P-C4' energy: -122.030
flat angles C4'-P-C4' energy: -142.176
flat angles P-C4'-P energy: -111.961
tors. eta vs tors. theta energy: -203.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2090.920502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.920502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.920502 (E_RNA)
where:
Base-Base interactions energy: -1427.742
where: short stacking energy: -636.481
Base-Backbone interact. energy: -0.331
local terms energy: -662.847297
where:
bonds (distance) C4'-P energy: -120.245
bonds (distance) P-C4' energy: -132.707
flat angles C4'-P-C4' energy: -142.100
flat angles P-C4'-P energy: -87.384
tors. eta vs tors. theta energy: -180.410
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: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2018.005653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.005653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.005653 (E_RNA)
where:
Base-Base interactions energy: -1397.796
where: short stacking energy: -629.735
Base-Backbone interact. energy: 6.547
local terms energy: -626.755907
where:
bonds (distance) C4'-P energy: -116.227
bonds (distance) P-C4' energy: -113.147
flat angles C4'-P-C4' energy: -142.968
flat angles P-C4'-P energy: -79.578
tors. eta vs tors. theta energy: -174.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1774.778435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.778435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.778435 (E_RNA)
where:
Base-Base interactions energy: -1167.442
where: short stacking energy: -497.360
Base-Backbone interact. energy: -2.527
local terms energy: -604.809931
where:
bonds (distance) C4'-P energy: -109.572
bonds (distance) P-C4' energy: -129.143
flat angles C4'-P-C4' energy: -131.823
flat angles P-C4'-P energy: -88.264
tors. eta vs tors. theta energy: -146.007
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: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1648.462335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.462335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.462335 (E_RNA)
where:
Base-Base interactions energy: -1073.860
where: short stacking energy: -479.917
Base-Backbone interact. energy: -0.799
local terms energy: -573.804137
where:
bonds (distance) C4'-P energy: -118.865
bonds (distance) P-C4' energy: -98.853
flat angles C4'-P-C4' energy: -140.518
flat angles P-C4'-P energy: -92.397
tors. eta vs tors. theta energy: -123.172
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: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1496.075076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.075076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.075076 (E_RNA)
where:
Base-Base interactions energy: -982.900
where: short stacking energy: -459.496
Base-Backbone interact. energy: -3.757
local terms energy: -509.417899
where:
bonds (distance) C4'-P energy: -107.627
bonds (distance) P-C4' energy: -104.479
flat angles C4'-P-C4' energy: -114.923
flat angles P-C4'-P energy: -71.042
tors. eta vs tors. theta energy: -111.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1112.578703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.578703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.578703 (E_RNA)
where:
Base-Base interactions energy: -667.789
where: short stacking energy: -310.740
Base-Backbone interact. energy: 1.244
local terms energy: -446.033878
where:
bonds (distance) C4'-P energy: -111.935
bonds (distance) P-C4' energy: -127.669
flat angles C4'-P-C4' energy: -102.293
flat angles P-C4'-P energy: -46.982
tors. eta vs tors. theta energy: -57.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1202.100241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.100241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.100241 (E_RNA)
where:
Base-Base interactions energy: -699.034
where: short stacking energy: -316.694
Base-Backbone interact. energy: -0.005
local terms energy: -503.060652
where:
bonds (distance) C4'-P energy: -122.694
bonds (distance) P-C4' energy: -132.158
flat angles C4'-P-C4' energy: -107.209
flat angles P-C4'-P energy: -83.294
tors. eta vs tors. theta energy: -57.707
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: 186
Temperature: 1.350000
Total energy: -723.064614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.064614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.064614 (E_RNA)
where:
Base-Base interactions energy: -368.640
where: short stacking energy: -191.017
Base-Backbone interact. energy: 1.426
local terms energy: -355.851312
where:
bonds (distance) C4'-P energy: -92.196
bonds (distance) P-C4' energy: -109.321
flat angles C4'-P-C4' energy: -94.520
flat angles P-C4'-P energy: -55.207
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: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2250.939200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.939200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.939200 (E_RNA)
where:
Base-Base interactions energy: -1521.100
where: short stacking energy: -696.486
Base-Backbone interact. energy: -2.437
local terms energy: -727.402203
where:
bonds (distance) C4'-P energy: -141.119
bonds (distance) P-C4' energy: -134.197
flat angles C4'-P-C4' energy: -154.484
flat angles P-C4'-P energy: -93.358
tors. eta vs tors. theta energy: -204.244
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: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2108.638990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.638990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.638990 (E_RNA)
where:
Base-Base interactions energy: -1457.959
where: short stacking energy: -595.589
Base-Backbone interact. energy: -3.211
local terms energy: -647.469972
where:
bonds (distance) C4'-P energy: -111.003
bonds (distance) P-C4' energy: -124.213
flat angles C4'-P-C4' energy: -146.605
flat angles P-C4'-P energy: -101.859
tors. eta vs tors. theta energy: -163.790
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: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2115.365501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.365501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.365501 (E_RNA)
where:
Base-Base interactions energy: -1415.893
where: short stacking energy: -612.134
Base-Backbone interact. energy: -0.896
local terms energy: -698.576472
where:
bonds (distance) C4'-P energy: -113.137
bonds (distance) P-C4' energy: -134.842
flat angles C4'-P-C4' energy: -141.814
flat angles P-C4'-P energy: -107.530
tors. eta vs tors. theta energy: -201.254
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: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1950.735303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.735303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.735303 (E_RNA)
where:
Base-Base interactions energy: -1306.518
where: short stacking energy: -581.091
Base-Backbone interact. energy: -2.173
local terms energy: -642.044145
where:
bonds (distance) C4'-P energy: -134.375
bonds (distance) P-C4' energy: -125.888
flat angles C4'-P-C4' energy: -136.692
flat angles P-C4'-P energy: -80.219
tors. eta vs tors. theta energy: -164.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1801.358030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.358030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.358030 (E_RNA)
where:
Base-Base interactions energy: -1211.701
where: short stacking energy: -507.643
Base-Backbone interact. energy: -2.150
local terms energy: -587.506774
where:
bonds (distance) C4'-P energy: -119.342
bonds (distance) P-C4' energy: -127.430
flat angles C4'-P-C4' energy: -131.134
flat angles P-C4'-P energy: -75.273
tors. eta vs tors. theta energy: -134.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1592.207378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.207378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.207378 (E_RNA)
where:
Base-Base interactions energy: -1026.623
where: short stacking energy: -476.636
Base-Backbone interact. energy: -1.877
local terms energy: -563.706835
where:
bonds (distance) C4'-P energy: -105.040
bonds (distance) P-C4' energy: -128.938
flat angles C4'-P-C4' energy: -131.718
flat angles P-C4'-P energy: -81.900
tors. eta vs tors. theta energy: -116.111
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: 187
Temperature: 1.200000
Total energy: -1508.147093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.147093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.147093 (E_RNA)
where:
Base-Base interactions energy: -990.596
where: short stacking energy: -421.013
Base-Backbone interact. energy: 1.457
local terms energy: -519.008246
where:
bonds (distance) C4'-P energy: -106.986
bonds (distance) P-C4' energy: -115.664
flat angles C4'-P-C4' energy: -117.063
flat angles P-C4'-P energy: -80.484
tors. eta vs tors. theta energy: -98.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1185.996112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.996112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.996112 (E_RNA)
where:
Base-Base interactions energy: -728.204
where: short stacking energy: -333.140
Base-Backbone interact. energy: 1.058
local terms energy: -458.850333
where:
bonds (distance) C4'-P energy: -103.933
bonds (distance) P-C4' energy: -119.878
flat angles C4'-P-C4' energy: -114.795
flat angles P-C4'-P energy: -68.607
tors. eta vs tors. theta energy: -51.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1007.717132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.717132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.717132 (E_RNA)
where:
Base-Base interactions energy: -603.421
where: short stacking energy: -275.897
Base-Backbone interact. energy: 2.627
local terms energy: -406.923837
where:
bonds (distance) C4'-P energy: -112.300
bonds (distance) P-C4' energy: -102.572
flat angles C4'-P-C4' energy: -93.891
flat angles P-C4'-P energy: -60.134
tors. eta vs tors. theta energy: -38.027
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: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -720.047027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.047027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.047027 (E_RNA)
where:
Base-Base interactions energy: -371.723
where: short stacking energy: -223.044
Base-Backbone interact. energy: -0.115
local terms energy: -348.208408
where:
bonds (distance) C4'-P energy: -109.502
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -80.888
flat angles P-C4'-P energy: -56.107
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2243.324369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.324369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.324369 (E_RNA)
where:
Base-Base interactions energy: -1505.493
where: short stacking energy: -668.459
Base-Backbone interact. energy: -2.136
local terms energy: -735.694691
where:
bonds (distance) C4'-P energy: -130.127
bonds (distance) P-C4' energy: -137.635
flat angles C4'-P-C4' energy: -147.078
flat angles P-C4'-P energy: -112.717
tors. eta vs tors. theta energy: -208.138
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: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2136.043901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.043901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.043901 (E_RNA)
where:
Base-Base interactions energy: -1462.869
where: short stacking energy: -627.239
Base-Backbone interact. energy: -0.975
local terms energy: -672.200870
where:
bonds (distance) C4'-P energy: -138.887
bonds (distance) P-C4' energy: -131.053
flat angles C4'-P-C4' energy: -138.814
flat angles P-C4'-P energy: -89.728
tors. eta vs tors. theta energy: -173.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2153.671105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.671105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.671105 (E_RNA)
where:
Base-Base interactions energy: -1422.967
where: short stacking energy: -654.061
Base-Backbone interact. energy: 2.193
local terms energy: -732.896478
where:
bonds (distance) C4'-P energy: -132.012
bonds (distance) P-C4' energy: -142.080
flat angles C4'-P-C4' energy: -151.629
flat angles P-C4'-P energy: -97.753
tors. eta vs tors. theta energy: -209.423
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: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1927.785161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.785161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.785161 (E_RNA)
where:
Base-Base interactions energy: -1311.212
where: short stacking energy: -573.943
Base-Backbone interact. energy: 5.404
local terms energy: -621.976992
where:
bonds (distance) C4'-P energy: -134.207
bonds (distance) P-C4' energy: -124.183
flat angles C4'-P-C4' energy: -134.461
flat angles P-C4'-P energy: -79.341
tors. eta vs tors. theta energy: -149.784
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: 188
Temperature: 1.100000
Total energy: -1803.214934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.214934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.214934 (E_RNA)
where:
Base-Base interactions energy: -1215.598
where: short stacking energy: -492.213
Base-Backbone interact. energy: 2.864
local terms energy: -590.480476
where:
bonds (distance) C4'-P energy: -108.692
bonds (distance) P-C4' energy: -121.750
flat angles C4'-P-C4' energy: -135.362
flat angles P-C4'-P energy: -84.071
tors. eta vs tors. theta energy: -140.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1614.271903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.271903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.271903 (E_RNA)
where:
Base-Base interactions energy: -1046.912
where: short stacking energy: -487.245
Base-Backbone interact. energy: -1.909
local terms energy: -565.450552
where:
bonds (distance) C4'-P energy: -117.977
bonds (distance) P-C4' energy: -114.622
flat angles C4'-P-C4' energy: -131.119
flat angles P-C4'-P energy: -81.083
tors. eta vs tors. theta energy: -120.650
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: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1506.699388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.699388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.699388 (E_RNA)
where:
Base-Base interactions energy: -982.003
where: short stacking energy: -436.875
Base-Backbone interact. energy: 0.581
local terms energy: -525.277606
where:
bonds (distance) C4'-P energy: -111.090
bonds (distance) P-C4' energy: -112.359
flat angles C4'-P-C4' energy: -121.840
flat angles P-C4'-P energy: -79.531
tors. eta vs tors. theta energy: -100.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1303.166117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.166117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.166117 (E_RNA)
where:
Base-Base interactions energy: -786.049
where: short stacking energy: -366.643
Base-Backbone interact. energy: -2.514
local terms energy: -514.603630
where:
bonds (distance) C4'-P energy: -108.409
bonds (distance) P-C4' energy: -116.503
flat angles C4'-P-C4' energy: -122.555
flat angles P-C4'-P energy: -86.357
tors. eta vs tors. theta energy: -80.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -980.948785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.948785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.948785 (E_RNA)
where:
Base-Base interactions energy: -549.650
where: short stacking energy: -269.657
Base-Backbone interact. energy: -4.449
local terms energy: -426.849132
where:
bonds (distance) C4'-P energy: -109.366
bonds (distance) P-C4' energy: -123.132
flat angles C4'-P-C4' energy: -107.125
flat angles P-C4'-P energy: -64.536
tors. eta vs tors. theta energy: -22.689
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: -779.274765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.274765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.274765 (E_RNA)
where:
Base-Base interactions energy: -405.683
where: short stacking energy: -218.497
Base-Backbone interact. energy: 5.046
local terms energy: -378.638478
where:
bonds (distance) C4'-P energy: -109.608
bonds (distance) P-C4' energy: -122.598
flat angles C4'-P-C4' energy: -98.099
flat angles P-C4'-P energy: -44.790
tors. eta vs tors. theta energy: -3.544
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: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2274.236522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.236522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.236522 (E_RNA)
where:
Base-Base interactions energy: -1529.574
where: short stacking energy: -699.241
Base-Backbone interact. energy: -1.530
local terms energy: -743.132229
where:
bonds (distance) C4'-P energy: -140.069
bonds (distance) P-C4' energy: -135.907
flat angles C4'-P-C4' energy: -158.910
flat angles P-C4'-P energy: -104.913
tors. eta vs tors. theta energy: -203.333
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: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2148.822680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.822680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.822680 (E_RNA)
where:
Base-Base interactions energy: -1452.623
where: short stacking energy: -639.769
Base-Backbone interact. energy: -2.275
local terms energy: -693.924350
where:
bonds (distance) C4'-P energy: -124.003
bonds (distance) P-C4' energy: -129.856
flat angles C4'-P-C4' energy: -157.211
flat angles P-C4'-P energy: -98.283
tors. eta vs tors. theta energy: -184.571
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: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2112.554441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.554441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.554441 (E_RNA)
where:
Base-Base interactions energy: -1452.362
where: short stacking energy: -644.510
Base-Backbone interact. energy: -1.193
local terms energy: -658.999280
where:
bonds (distance) C4'-P energy: -115.007
bonds (distance) P-C4' energy: -118.903
flat angles C4'-P-C4' energy: -141.533
flat angles P-C4'-P energy: -84.536
tors. eta vs tors. theta energy: -199.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1991.944575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.944575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.944575 (E_RNA)
where:
Base-Base interactions energy: -1363.083
where: short stacking energy: -581.919
Base-Backbone interact. energy: -2.363
local terms energy: -626.498531
where:
bonds (distance) C4'-P energy: -99.277
bonds (distance) P-C4' energy: -117.104
flat angles C4'-P-C4' energy: -148.118
flat angles P-C4'-P energy: -92.320
tors. eta vs tors. theta energy: -169.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1848.380754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.380754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.380754 (E_RNA)
where:
Base-Base interactions energy: -1258.981
where: short stacking energy: -558.117
Base-Backbone interact. energy: -1.626
local terms energy: -587.774444
where:
bonds (distance) C4'-P energy: -109.886
bonds (distance) P-C4' energy: -124.765
flat angles C4'-P-C4' energy: -133.812
flat angles P-C4'-P energy: -63.691
tors. eta vs tors. theta energy: -155.621
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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1558.722066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.722066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.722066 (E_RNA)
where:
Base-Base interactions energy: -1010.528
where: short stacking energy: -450.329
Base-Backbone interact. energy: -2.877
local terms energy: -545.316650
where:
bonds (distance) C4'-P energy: -105.713
bonds (distance) P-C4' energy: -119.223
flat angles C4'-P-C4' energy: -136.065
flat angles P-C4'-P energy: -76.402
tors. eta vs tors. theta energy: -107.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1502.246632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.246632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.246632 (E_RNA)
where:
Base-Base interactions energy: -974.958
where: short stacking energy: -402.234
Base-Backbone interact. energy: -0.116
local terms energy: -527.172686
where:
bonds (distance) C4'-P energy: -131.686
bonds (distance) P-C4' energy: -118.283
flat angles C4'-P-C4' energy: -102.396
flat angles P-C4'-P energy: -82.870
tors. eta vs tors. theta energy: -91.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1315.814957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.814957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.814957 (E_RNA)
where:
Base-Base interactions energy: -840.754
where: short stacking energy: -377.016
Base-Backbone interact. energy: 2.318
local terms energy: -477.378601
where:
bonds (distance) C4'-P energy: -113.653
bonds (distance) P-C4' energy: -113.789
flat angles C4'-P-C4' energy: -116.894
flat angles P-C4'-P energy: -58.237
tors. eta vs tors. theta energy: -74.805
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: 189
Temperature: 1.300000
Total energy: -1021.885873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.885873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.885873 (E_RNA)
where:
Base-Base interactions energy: -627.969
where: short stacking energy: -292.048
Base-Backbone interact. energy: -2.200
local terms energy: -391.716793
where:
bonds (distance) C4'-P energy: -96.414
bonds (distance) P-C4' energy: -118.488
flat angles C4'-P-C4' energy: -87.954
flat angles P-C4'-P energy: -55.345
tors. eta vs tors. theta energy: -33.516
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: 189
Temperature: 1.350000
Total energy: -774.910055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.910055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.910055 (E_RNA)
where:
Base-Base interactions energy: -398.800
where: short stacking energy: -220.752
Base-Backbone interact. energy: -0.348
local terms energy: -375.762203
where:
bonds (distance) C4'-P energy: -105.269
bonds (distance) P-C4' energy: -109.886
flat angles C4'-P-C4' energy: -109.824
flat angles P-C4'-P energy: -29.178
tors. eta vs tors. theta energy: -21.605
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: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2241.838663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.838663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.838663 (E_RNA)
where:
Base-Base interactions energy: -1505.089
where: short stacking energy: -672.875
Base-Backbone interact. energy: -1.898
local terms energy: -734.850933
where:
bonds (distance) C4'-P energy: -136.586
bonds (distance) P-C4' energy: -133.214
flat angles C4'-P-C4' energy: -159.619
flat angles P-C4'-P energy: -102.498
tors. eta vs tors. theta energy: -202.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2104.411099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.411099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.411099 (E_RNA)
where:
Base-Base interactions energy: -1427.160
where: short stacking energy: -589.397
Base-Backbone interact. energy: -3.916
local terms energy: -673.334829
where:
bonds (distance) C4'-P energy: -123.576
bonds (distance) P-C4' energy: -144.538
flat angles C4'-P-C4' energy: -141.433
flat angles P-C4'-P energy: -90.952
tors. eta vs tors. theta energy: -172.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2111.322607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.322607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.322607 (E_RNA)
where:
Base-Base interactions energy: -1409.258
where: short stacking energy: -624.167
Base-Backbone interact. energy: -0.365
local terms energy: -701.699065
where:
bonds (distance) C4'-P energy: -126.196
bonds (distance) P-C4' energy: -130.789
flat angles C4'-P-C4' energy: -146.239
flat angles P-C4'-P energy: -107.137
tors. eta vs tors. theta energy: -191.337
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: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1976.861674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.861674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.861674 (E_RNA)
where:
Base-Base interactions energy: -1333.177
where: short stacking energy: -610.040
Base-Backbone interact. energy: -3.646
local terms energy: -640.038620
where:
bonds (distance) C4'-P energy: -116.996
bonds (distance) P-C4' energy: -114.769
flat angles C4'-P-C4' energy: -144.206
flat angles P-C4'-P energy: -94.313
tors. eta vs tors. theta energy: -169.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1864.213193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.213193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.213193 (E_RNA)
where:
Base-Base interactions energy: -1287.328
where: short stacking energy: -549.254
Base-Backbone interact. energy: 2.896
local terms energy: -579.780920
where:
bonds (distance) C4'-P energy: -98.409
bonds (distance) P-C4' energy: -115.339
flat angles C4'-P-C4' energy: -132.791
flat angles P-C4'-P energy: -77.597
tors. eta vs tors. theta energy: -155.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1592.861329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.861329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.861329 (E_RNA)
where:
Base-Base interactions energy: -995.537
where: short stacking energy: -466.926
Base-Backbone interact. energy: -2.141
local terms energy: -595.183551
where:
bonds (distance) C4'-P energy: -125.421
bonds (distance) P-C4' energy: -125.207
flat angles C4'-P-C4' energy: -131.479
flat angles P-C4'-P energy: -83.411
tors. eta vs tors. theta energy: -129.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1523.080299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.080299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.080299 (E_RNA)
where:
Base-Base interactions energy: -987.259
where: short stacking energy: -412.144
Base-Backbone interact. energy: 0.462
local terms energy: -536.283462
where:
bonds (distance) C4'-P energy: -104.134
bonds (distance) P-C4' energy: -122.992
flat angles C4'-P-C4' energy: -138.089
flat angles P-C4'-P energy: -66.961
tors. eta vs tors. theta energy: -104.107
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: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1277.854379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.854379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.854379 (E_RNA)
where:
Base-Base interactions energy: -804.101
where: short stacking energy: -361.200
Base-Backbone interact. energy: 2.397
local terms energy: -476.149948
where:
bonds (distance) C4'-P energy: -99.314
bonds (distance) P-C4' energy: -114.940
flat angles C4'-P-C4' energy: -117.076
flat angles P-C4'-P energy: -72.282
tors. eta vs tors. theta energy: -72.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1013.402959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.402959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.402959 (E_RNA)
where:
Base-Base interactions energy: -612.584
where: short stacking energy: -267.116
Base-Backbone interact. energy: -0.638
local terms energy: -400.181001
where:
bonds (distance) C4'-P energy: -93.967
bonds (distance) P-C4' energy: -114.089
flat angles C4'-P-C4' energy: -99.276
flat angles P-C4'-P energy: -62.937
tors. eta vs tors. theta energy: -29.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -835.447192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.447192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.447192 (E_RNA)
where:
Base-Base interactions energy: -455.608
where: short stacking energy: -233.955
Base-Backbone interact. energy: 1.208
local terms energy: -381.047155
where:
bonds (distance) C4'-P energy: -106.429
bonds (distance) P-C4' energy: -122.069
flat angles C4'-P-C4' energy: -84.038
flat angles P-C4'-P energy: -53.146
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2250.751814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.751814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.751814 (E_RNA)
where:
Base-Base interactions energy: -1526.174
where: short stacking energy: -691.730
Base-Backbone interact. energy: -2.427
local terms energy: -722.151326
where:
bonds (distance) C4'-P energy: -134.590
bonds (distance) P-C4' energy: -135.499
flat angles C4'-P-C4' energy: -150.127
flat angles P-C4'-P energy: -97.493
tors. eta vs tors. theta energy: -204.443
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: 191
Temperature: 0.950000
Total energy: -2119.373969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.373969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.373969 (E_RNA)
where:
Base-Base interactions energy: -1457.762
where: short stacking energy: -608.620
Base-Backbone interact. energy: -1.605
local terms energy: -660.006519
where:
bonds (distance) C4'-P energy: -114.145
bonds (distance) P-C4' energy: -131.144
flat angles C4'-P-C4' energy: -150.211
flat angles P-C4'-P energy: -91.646
tors. eta vs tors. theta energy: -172.861
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: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2098.962684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.962684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.962684 (E_RNA)
where:
Base-Base interactions energy: -1443.601
where: short stacking energy: -652.529
Base-Backbone interact. energy: -2.861
local terms energy: -652.500591
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -122.759
flat angles C4'-P-C4' energy: -142.546
flat angles P-C4'-P energy: -92.639
tors. eta vs tors. theta energy: -199.531
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: 191
Temperature: 1.050000
Total energy: -1966.272731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.272731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.272731 (E_RNA)
where:
Base-Base interactions energy: -1336.291
where: short stacking energy: -576.606
Base-Backbone interact. energy: -2.347
local terms energy: -627.634754
where:
bonds (distance) C4'-P energy: -117.024
bonds (distance) P-C4' energy: -122.198
flat angles C4'-P-C4' energy: -122.483
flat angles P-C4'-P energy: -101.243
tors. eta vs tors. theta energy: -164.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1851.296217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.296217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.296217 (E_RNA)
where:
Base-Base interactions energy: -1254.662
where: short stacking energy: -537.431
Base-Backbone interact. energy: 3.963
local terms energy: -600.596876
where:
bonds (distance) C4'-P energy: -99.233
bonds (distance) P-C4' energy: -125.168
flat angles C4'-P-C4' energy: -127.414
flat angles P-C4'-P energy: -97.863
tors. eta vs tors. theta energy: -150.918
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: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1553.451562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.451562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.451562 (E_RNA)
where:
Base-Base interactions energy: -1019.498
where: short stacking energy: -486.731
Base-Backbone interact. energy: -0.197
local terms energy: -533.756788
where:
bonds (distance) C4'-P energy: -105.948
bonds (distance) P-C4' energy: -109.610
flat angles C4'-P-C4' energy: -125.175
flat angles P-C4'-P energy: -85.558
tors. eta vs tors. theta energy: -107.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1517.552404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.552404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.552404 (E_RNA)
where:
Base-Base interactions energy: -986.036
where: short stacking energy: -435.282
Base-Backbone interact. energy: 2.849
local terms energy: -534.364871
where:
bonds (distance) C4'-P energy: -105.839
bonds (distance) P-C4' energy: -107.754
flat angles C4'-P-C4' energy: -126.081
flat angles P-C4'-P energy: -80.863
tors. eta vs tors. theta energy: -113.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1250.427056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.427056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.427056 (E_RNA)
where:
Base-Base interactions energy: -800.706
where: short stacking energy: -379.273
Base-Backbone interact. energy: -0.605
local terms energy: -449.115863
where:
bonds (distance) C4'-P energy: -103.030
bonds (distance) P-C4' energy: -89.255
flat angles C4'-P-C4' energy: -100.244
flat angles P-C4'-P energy: -77.751
tors. eta vs tors. theta energy: -78.835
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: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1030.997477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.997477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.997477 (E_RNA)
where:
Base-Base interactions energy: -614.719
where: short stacking energy: -289.280
Base-Backbone interact. energy: -2.858
local terms energy: -413.420359
where:
bonds (distance) C4'-P energy: -103.002
bonds (distance) P-C4' energy: -112.105
flat angles C4'-P-C4' energy: -98.364
flat angles P-C4'-P energy: -62.616
tors. eta vs tors. theta energy: -37.333
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: 191
Temperature: 1.350000
Total energy: -775.309688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.309688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.309688 (E_RNA)
where:
Base-Base interactions energy: -403.532
where: short stacking energy: -209.205
Base-Backbone interact. energy: 3.467
local terms energy: -375.244729
where:
bonds (distance) C4'-P energy: -96.152
bonds (distance) P-C4' energy: -115.707
flat angles C4'-P-C4' energy: -99.949
flat angles P-C4'-P energy: -52.818
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2247.333295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.333295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.333295 (E_RNA)
where:
Base-Base interactions energy: -1517.973
where: short stacking energy: -700.425
Base-Backbone interact. energy: -1.818
local terms energy: -727.542036
where:
bonds (distance) C4'-P energy: -124.670
bonds (distance) P-C4' energy: -137.384
flat angles C4'-P-C4' energy: -146.806
flat angles P-C4'-P energy: -106.933
tors. eta vs tors. theta energy: -211.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2125.515538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.515538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.515538 (E_RNA)
where:
Base-Base interactions energy: -1458.274
where: short stacking energy: -642.808
Base-Backbone interact. energy: 1.940
local terms energy: -669.181627
where:
bonds (distance) C4'-P energy: -131.896
bonds (distance) P-C4' energy: -128.167
flat angles C4'-P-C4' energy: -136.437
flat angles P-C4'-P energy: -80.069
tors. eta vs tors. theta energy: -192.611
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: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2135.085052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.085052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.085052 (E_RNA)
where:
Base-Base interactions energy: -1450.171
where: short stacking energy: -648.500
Base-Backbone interact. energy: -1.383
local terms energy: -683.530640
where:
bonds (distance) C4'-P energy: -112.757
bonds (distance) P-C4' energy: -134.632
flat angles C4'-P-C4' energy: -147.504
flat angles P-C4'-P energy: -87.946
tors. eta vs tors. theta energy: -200.692
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: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2006.390510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.390510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.390510 (E_RNA)
where:
Base-Base interactions energy: -1381.202
where: short stacking energy: -593.079
Base-Backbone interact. energy: 1.199
local terms energy: -626.387954
where:
bonds (distance) C4'-P energy: -123.508
bonds (distance) P-C4' energy: -109.872
flat angles C4'-P-C4' energy: -143.750
flat angles P-C4'-P energy: -87.874
tors. eta vs tors. theta energy: -161.384
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: 192
Temperature: 1.100000
Total energy: -1817.404948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.404948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.404948 (E_RNA)
where:
Base-Base interactions energy: -1237.309
where: short stacking energy: -554.144
Base-Backbone interact. energy: 6.338
local terms energy: -586.434168
where:
bonds (distance) C4'-P energy: -117.523
bonds (distance) P-C4' energy: -131.301
flat angles C4'-P-C4' energy: -123.848
flat angles P-C4'-P energy: -68.605
tors. eta vs tors. theta energy: -145.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1532.866220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.866220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.866220 (E_RNA)
where:
Base-Base interactions energy: -992.043
where: short stacking energy: -461.997
Base-Backbone interact. energy: 2.275
local terms energy: -543.098053
where:
bonds (distance) C4'-P energy: -119.126
bonds (distance) P-C4' energy: -112.320
flat angles C4'-P-C4' energy: -130.221
flat angles P-C4'-P energy: -67.380
tors. eta vs tors. theta energy: -114.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1491.497903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.497903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.497903 (E_RNA)
where:
Base-Base interactions energy: -968.976
where: short stacking energy: -428.572
Base-Backbone interact. energy: 0.844
local terms energy: -523.365895
where:
bonds (distance) C4'-P energy: -102.353
bonds (distance) P-C4' energy: -117.358
flat angles C4'-P-C4' energy: -132.164
flat angles P-C4'-P energy: -85.362
tors. eta vs tors. theta energy: -86.130
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: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1242.041007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.041007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.041007 (E_RNA)
where:
Base-Base interactions energy: -780.539
where: short stacking energy: -369.607
Base-Backbone interact. energy: -0.834
local terms energy: -460.668508
where:
bonds (distance) C4'-P energy: -98.889
bonds (distance) P-C4' energy: -109.987
flat angles C4'-P-C4' energy: -111.179
flat angles P-C4'-P energy: -56.874
tors. eta vs tors. theta energy: -83.739
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: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1013.466960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.466960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.466960 (E_RNA)
where:
Base-Base interactions energy: -611.756
where: short stacking energy: -282.805
Base-Backbone interact. energy: -0.720
local terms energy: -400.990981
where:
bonds (distance) C4'-P energy: -121.070
bonds (distance) P-C4' energy: -113.518
flat angles C4'-P-C4' energy: -76.165
flat angles P-C4'-P energy: -66.378
tors. eta vs tors. theta energy: -23.860
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: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -752.389674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.389674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.389674 (E_RNA)
where:
Base-Base interactions energy: -390.804
where: short stacking energy: -196.202
Base-Backbone interact. energy: 0.614
local terms energy: -362.200054
where:
bonds (distance) C4'-P energy: -97.048
bonds (distance) P-C4' energy: -109.970
flat angles C4'-P-C4' energy: -91.578
flat angles P-C4'-P energy: -65.997
tors. eta vs tors. theta energy: 2.393
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: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2254.024346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.024346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.024346 (E_RNA)
where:
Base-Base interactions energy: -1526.108
where: short stacking energy: -667.803
Base-Backbone interact. energy: -1.266
local terms energy: -726.650666
where:
bonds (distance) C4'-P energy: -114.455
bonds (distance) P-C4' energy: -141.574
flat angles C4'-P-C4' energy: -153.472
flat angles P-C4'-P energy: -118.096
tors. eta vs tors. theta energy: -199.054
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: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2173.864505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.864505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.864505 (E_RNA)
where:
Base-Base interactions energy: -1493.089
where: short stacking energy: -637.784
Base-Backbone interact. energy: -2.710
local terms energy: -678.066270
where:
bonds (distance) C4'-P energy: -109.304
bonds (distance) P-C4' energy: -124.932
flat angles C4'-P-C4' energy: -159.360
flat angles P-C4'-P energy: -92.810
tors. eta vs tors. theta energy: -191.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2104.744153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.744153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.744153 (E_RNA)
where:
Base-Base interactions energy: -1433.008
where: short stacking energy: -642.040
Base-Backbone interact. energy: -2.474
local terms energy: -669.261601
where:
bonds (distance) C4'-P energy: -128.339
bonds (distance) P-C4' energy: -124.808
flat angles C4'-P-C4' energy: -138.091
flat angles P-C4'-P energy: -84.745
tors. eta vs tors. theta energy: -193.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1980.063346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.063346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.063346 (E_RNA)
where:
Base-Base interactions energy: -1339.169
where: short stacking energy: -586.768
Base-Backbone interact. energy: -5.083
local terms energy: -635.811324
where:
bonds (distance) C4'-P energy: -109.551
bonds (distance) P-C4' energy: -123.891
flat angles C4'-P-C4' energy: -149.140
flat angles P-C4'-P energy: -92.394
tors. eta vs tors. theta energy: -160.835
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: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1827.666592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.666592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.666592 (E_RNA)
where:
Base-Base interactions energy: -1237.443
where: short stacking energy: -524.783
Base-Backbone interact. energy: -1.821
local terms energy: -588.403180
where:
bonds (distance) C4'-P energy: -105.400
bonds (distance) P-C4' energy: -117.804
flat angles C4'-P-C4' energy: -134.102
flat angles P-C4'-P energy: -87.823
tors. eta vs tors. theta energy: -143.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1558.678388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.678388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.678388 (E_RNA)
where:
Base-Base interactions energy: -1015.727
where: short stacking energy: -460.642
Base-Backbone interact. energy: 0.607
local terms energy: -543.558466
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -121.765
flat angles C4'-P-C4' energy: -134.210
flat angles P-C4'-P energy: -76.970
tors. eta vs tors. theta energy: -104.559
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: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1471.258681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.258681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.258681 (E_RNA)
where:
Base-Base interactions energy: -946.460
where: short stacking energy: -447.880
Base-Backbone interact. energy: -1.139
local terms energy: -523.659566
where:
bonds (distance) C4'-P energy: -103.461
bonds (distance) P-C4' energy: -122.704
flat angles C4'-P-C4' energy: -117.334
flat angles P-C4'-P energy: -73.423
tors. eta vs tors. theta energy: -106.738
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: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1212.429839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.429839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.429839 (E_RNA)
where:
Base-Base interactions energy: -744.717
where: short stacking energy: -355.750
Base-Backbone interact. energy: -2.197
local terms energy: -465.515969
where:
bonds (distance) C4'-P energy: -104.665
bonds (distance) P-C4' energy: -99.432
flat angles C4'-P-C4' energy: -117.309
flat angles P-C4'-P energy: -66.349
tors. eta vs tors. theta energy: -77.761
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: 4
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -997.380167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.380167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.380167 (E_RNA)
where:
Base-Base interactions energy: -598.041
where: short stacking energy: -254.516
Base-Backbone interact. energy: -1.392
local terms energy: -397.947109
where:
bonds (distance) C4'-P energy: -112.788
bonds (distance) P-C4' energy: -112.094
flat angles C4'-P-C4' energy: -103.343
flat angles P-C4'-P energy: -62.998
tors. eta vs tors. theta energy: -6.724
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: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -778.406066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.406066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.406066 (E_RNA)
where:
Base-Base interactions energy: -451.144
where: short stacking energy: -247.157
Base-Backbone interact. energy: -1.214
local terms energy: -326.048581
where:
bonds (distance) C4'-P energy: -100.711
bonds (distance) P-C4' energy: -111.593
flat angles C4'-P-C4' energy: -76.333
flat angles P-C4'-P energy: -33.372
tors. eta vs tors. theta energy: -4.040
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: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2242.418549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.418549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.418549 (E_RNA)
where:
Base-Base interactions energy: -1503.207
where: short stacking energy: -672.193
Base-Backbone interact. energy: -2.198
local terms energy: -737.014275
where:
bonds (distance) C4'-P energy: -132.680
bonds (distance) P-C4' energy: -143.360
flat angles C4'-P-C4' energy: -155.822
flat angles P-C4'-P energy: -106.702
tors. eta vs tors. theta energy: -198.451
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: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2137.280758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.280758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.280758 (E_RNA)
where:
Base-Base interactions energy: -1433.468
where: short stacking energy: -607.953
Base-Backbone interact. energy: -3.140
local terms energy: -700.672858
where:
bonds (distance) C4'-P energy: -148.584
bonds (distance) P-C4' energy: -134.236
flat angles C4'-P-C4' energy: -139.807
flat angles P-C4'-P energy: -101.220
tors. eta vs tors. theta energy: -176.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2150.342549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.342549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.342549 (E_RNA)
where:
Base-Base interactions energy: -1442.548
where: short stacking energy: -645.532
Base-Backbone interact. energy: -0.812
local terms energy: -706.982672
where:
bonds (distance) C4'-P energy: -125.432
bonds (distance) P-C4' energy: -138.736
flat angles C4'-P-C4' energy: -147.651
flat angles P-C4'-P energy: -94.528
tors. eta vs tors. theta energy: -200.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2012.446398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.446398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.446398 (E_RNA)
where:
Base-Base interactions energy: -1369.168
where: short stacking energy: -601.778
Base-Backbone interact. energy: 0.730
local terms energy: -644.008047
where:
bonds (distance) C4'-P energy: -116.965
bonds (distance) P-C4' energy: -127.397
flat angles C4'-P-C4' energy: -138.205
flat angles P-C4'-P energy: -86.394
tors. eta vs tors. theta energy: -175.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1837.940202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.940202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.940202 (E_RNA)
where:
Base-Base interactions energy: -1230.402
where: short stacking energy: -541.750
Base-Backbone interact. energy: 0.796
local terms energy: -608.334711
where:
bonds (distance) C4'-P energy: -119.145
bonds (distance) P-C4' energy: -127.882
flat angles C4'-P-C4' energy: -143.370
flat angles P-C4'-P energy: -79.787
tors. eta vs tors. theta energy: -138.150
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: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1571.321011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.321011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.321011 (E_RNA)
where:
Base-Base interactions energy: -994.140
where: short stacking energy: -445.162
Base-Backbone interact. energy: -1.975
local terms energy: -575.205562
where:
bonds (distance) C4'-P energy: -118.311
bonds (distance) P-C4' energy: -118.435
flat angles C4'-P-C4' energy: -138.192
flat angles P-C4'-P energy: -86.233
tors. eta vs tors. theta energy: -114.034
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: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1469.166506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.166506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.166506 (E_RNA)
where:
Base-Base interactions energy: -947.954
where: short stacking energy: -418.449
Base-Backbone interact. energy: -1.470
local terms energy: -519.741954
where:
bonds (distance) C4'-P energy: -107.978
bonds (distance) P-C4' energy: -132.237
flat angles C4'-P-C4' energy: -112.385
flat angles P-C4'-P energy: -77.847
tors. eta vs tors. theta energy: -89.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1238.709071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.709071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.709071 (E_RNA)
where:
Base-Base interactions energy: -759.322
where: short stacking energy: -357.672
Base-Backbone interact. energy: -1.411
local terms energy: -477.976684
where:
bonds (distance) C4'-P energy: -109.599
bonds (distance) P-C4' energy: -125.320
flat angles C4'-P-C4' energy: -107.583
flat angles P-C4'-P energy: -75.962
tors. eta vs tors. theta energy: -59.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1052.711505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.711505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.711505 (E_RNA)
where:
Base-Base interactions energy: -633.595
where: short stacking energy: -288.478
Base-Backbone interact. energy: 1.892
local terms energy: -421.008788
where:
bonds (distance) C4'-P energy: -100.768
bonds (distance) P-C4' energy: -128.334
flat angles C4'-P-C4' energy: -102.261
flat angles P-C4'-P energy: -50.894
tors. eta vs tors. theta energy: -38.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -744.132678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.132678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.132678 (E_RNA)
where:
Base-Base interactions energy: -377.759
where: short stacking energy: -214.925
Base-Backbone interact. energy: -2.514
local terms energy: -363.859872
where:
bonds (distance) C4'-P energy: -95.735
bonds (distance) P-C4' energy: -114.244
flat angles C4'-P-C4' energy: -95.904
flat angles P-C4'-P energy: -42.309
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2253.210700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.210700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.210700 (E_RNA)
where:
Base-Base interactions energy: -1547.160
where: short stacking energy: -685.356
Base-Backbone interact. energy: 1.785
local terms energy: -707.835766
where:
bonds (distance) C4'-P energy: -134.936
bonds (distance) P-C4' energy: -127.744
flat angles C4'-P-C4' energy: -151.281
flat angles P-C4'-P energy: -101.907
tors. eta vs tors. theta energy: -191.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2150.710007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.710007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.710007 (E_RNA)
where:
Base-Base interactions energy: -1468.369
where: short stacking energy: -605.407
Base-Backbone interact. energy: -3.282
local terms energy: -679.059426
where:
bonds (distance) C4'-P energy: -129.055
bonds (distance) P-C4' energy: -148.872
flat angles C4'-P-C4' energy: -146.296
flat angles P-C4'-P energy: -88.749
tors. eta vs tors. theta energy: -166.087
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: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2120.566113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.566113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.566113 (E_RNA)
where:
Base-Base interactions energy: -1434.045
where: short stacking energy: -629.024
Base-Backbone interact. energy: 0.134
local terms energy: -686.655417
where:
bonds (distance) C4'-P energy: -132.203
bonds (distance) P-C4' energy: -121.094
flat angles C4'-P-C4' energy: -148.235
flat angles P-C4'-P energy: -92.263
tors. eta vs tors. theta energy: -192.860
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: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1979.197360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.197360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.197360 (E_RNA)
where:
Base-Base interactions energy: -1349.465
where: short stacking energy: -604.048
Base-Backbone interact. energy: 2.405
local terms energy: -632.136966
where:
bonds (distance) C4'-P energy: -129.184
bonds (distance) P-C4' energy: -120.805
flat angles C4'-P-C4' energy: -136.773
flat angles P-C4'-P energy: -75.759
tors. eta vs tors. theta energy: -169.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1772.424719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.424719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.424719 (E_RNA)
where:
Base-Base interactions energy: -1185.000
where: short stacking energy: -499.769
Base-Backbone interact. energy: -4.876
local terms energy: -582.548383
where:
bonds (distance) C4'-P energy: -112.342
bonds (distance) P-C4' energy: -118.965
flat angles C4'-P-C4' energy: -129.558
flat angles P-C4'-P energy: -87.189
tors. eta vs tors. theta energy: -134.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1548.085644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.085644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.085644 (E_RNA)
where:
Base-Base interactions energy: -1017.046
where: short stacking energy: -461.582
Base-Backbone interact. energy: -2.459
local terms energy: -528.580674
where:
bonds (distance) C4'-P energy: -107.291
bonds (distance) P-C4' energy: -110.306
flat angles C4'-P-C4' energy: -122.528
flat angles P-C4'-P energy: -70.643
tors. eta vs tors. theta energy: -117.813
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: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1460.037939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.037939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.037939 (E_RNA)
where:
Base-Base interactions energy: -954.995
where: short stacking energy: -433.454
Base-Backbone interact. energy: -0.086
local terms energy: -504.956679
where:
bonds (distance) C4'-P energy: -115.680
bonds (distance) P-C4' energy: -121.366
flat angles C4'-P-C4' energy: -112.524
flat angles P-C4'-P energy: -62.735
tors. eta vs tors. theta energy: -92.652
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: 195
Temperature: 1.250000
Total energy: -1224.448962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.448962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.448962 (E_RNA)
where:
Base-Base interactions energy: -788.357
where: short stacking energy: -361.602
Base-Backbone interact. energy: 0.477
local terms energy: -436.569582
where:
bonds (distance) C4'-P energy: -94.858
bonds (distance) P-C4' energy: -112.907
flat angles C4'-P-C4' energy: -105.469
flat angles P-C4'-P energy: -69.977
tors. eta vs tors. theta energy: -53.359
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: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1062.045323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.045323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.045323 (E_RNA)
where:
Base-Base interactions energy: -648.230
where: short stacking energy: -303.889
Base-Backbone interact. energy: 3.854
local terms energy: -417.669655
where:
bonds (distance) C4'-P energy: -96.229
bonds (distance) P-C4' energy: -110.194
flat angles C4'-P-C4' energy: -116.378
flat angles P-C4'-P energy: -59.117
tors. eta vs tors. theta energy: -35.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -735.616086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.616086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.616086 (E_RNA)
where:
Base-Base interactions energy: -372.270
where: short stacking energy: -206.253
Base-Backbone interact. energy: 2.438
local terms energy: -365.784560
where:
bonds (distance) C4'-P energy: -92.693
bonds (distance) P-C4' energy: -112.514
flat angles C4'-P-C4' energy: -88.519
flat angles P-C4'-P energy: -59.295
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2257.294666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.294666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.294666 (E_RNA)
where:
Base-Base interactions energy: -1555.206
where: short stacking energy: -700.082
Base-Backbone interact. energy: -0.293
local terms energy: -701.795684
where:
bonds (distance) C4'-P energy: -121.986
bonds (distance) P-C4' energy: -135.150
flat angles C4'-P-C4' energy: -137.822
flat angles P-C4'-P energy: -103.371
tors. eta vs tors. theta energy: -203.466
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: 196
Temperature: 0.950000
Total energy: -2130.547171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.547171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.547171 (E_RNA)
where:
Base-Base interactions energy: -1455.726
where: short stacking energy: -621.420
Base-Backbone interact. energy: -3.806
local terms energy: -671.015065
where:
bonds (distance) C4'-P energy: -127.378
bonds (distance) P-C4' energy: -123.283
flat angles C4'-P-C4' energy: -149.773
flat angles P-C4'-P energy: -95.507
tors. eta vs tors. theta energy: -175.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2134.963233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.963233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.963233 (E_RNA)
where:
Base-Base interactions energy: -1451.699
where: short stacking energy: -645.771
Base-Backbone interact. energy: 3.698
local terms energy: -686.962087
where:
bonds (distance) C4'-P energy: -120.942
bonds (distance) P-C4' energy: -132.279
flat angles C4'-P-C4' energy: -151.700
flat angles P-C4'-P energy: -87.273
tors. eta vs tors. theta energy: -194.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1977.148890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.148890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.148890 (E_RNA)
where:
Base-Base interactions energy: -1361.603
where: short stacking energy: -616.650
Base-Backbone interact. energy: -0.271
local terms energy: -615.274769
where:
bonds (distance) C4'-P energy: -104.578
bonds (distance) P-C4' energy: -113.255
flat angles C4'-P-C4' energy: -127.703
flat angles P-C4'-P energy: -94.214
tors. eta vs tors. theta energy: -175.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1779.430537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.430537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.430537 (E_RNA)
where:
Base-Base interactions energy: -1189.735
where: short stacking energy: -524.450
Base-Backbone interact. energy: 0.907
local terms energy: -590.602285
where:
bonds (distance) C4'-P energy: -104.458
bonds (distance) P-C4' energy: -125.730
flat angles C4'-P-C4' energy: -134.767
flat angles P-C4'-P energy: -81.215
tors. eta vs tors. theta energy: -144.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1585.765669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.765669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.765669 (E_RNA)
where:
Base-Base interactions energy: -1026.592
where: short stacking energy: -477.653
Base-Backbone interact. energy: 1.124
local terms energy: -560.297722
where:
bonds (distance) C4'-P energy: -112.753
bonds (distance) P-C4' energy: -132.191
flat angles C4'-P-C4' energy: -118.556
flat angles P-C4'-P energy: -84.563
tors. eta vs tors. theta energy: -112.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1358.400184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.400184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.400184 (E_RNA)
where:
Base-Base interactions energy: -843.746
where: short stacking energy: -366.916
Base-Backbone interact. energy: -1.606
local terms energy: -513.048541
where:
bonds (distance) C4'-P energy: -117.795
bonds (distance) P-C4' energy: -110.368
flat angles C4'-P-C4' energy: -129.368
flat angles P-C4'-P energy: -77.499
tors. eta vs tors. theta energy: -78.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1216.714959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.714959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.714959 (E_RNA)
where:
Base-Base interactions energy: -763.513
where: short stacking energy: -335.992
Base-Backbone interact. energy: 0.231
local terms energy: -453.433830
where:
bonds (distance) C4'-P energy: -102.115
bonds (distance) P-C4' energy: -100.931
flat angles C4'-P-C4' energy: -128.248
flat angles P-C4'-P energy: -54.229
tors. eta vs tors. theta energy: -67.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1028.876377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.876377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.876377 (E_RNA)
where:
Base-Base interactions energy: -597.614
where: short stacking energy: -305.809
Base-Backbone interact. energy: -2.716
local terms energy: -428.546438
where:
bonds (distance) C4'-P energy: -110.560
bonds (distance) P-C4' energy: -113.775
flat angles C4'-P-C4' energy: -100.830
flat angles P-C4'-P energy: -68.296
tors. eta vs tors. theta energy: -35.085
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: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -756.225214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.225214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.225214 (E_RNA)
where:
Base-Base interactions energy: -368.997
where: short stacking energy: -193.220
Base-Backbone interact. energy: -1.814
local terms energy: -385.413454
where:
bonds (distance) C4'-P energy: -89.740
bonds (distance) P-C4' energy: -114.424
flat angles C4'-P-C4' energy: -97.253
flat angles P-C4'-P energy: -59.503
tors. eta vs tors. theta energy: -24.494
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: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2258.926260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.926260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.926260 (E_RNA)
where:
Base-Base interactions energy: -1535.525
where: short stacking energy: -673.588
Base-Backbone interact. energy: 0.005
local terms energy: -723.405763
where:
bonds (distance) C4'-P energy: -131.502
bonds (distance) P-C4' energy: -136.859
flat angles C4'-P-C4' energy: -155.196
flat angles P-C4'-P energy: -97.514
tors. eta vs tors. theta energy: -202.335
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: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2182.364934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.364934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.364934 (E_RNA)
where:
Base-Base interactions energy: -1490.649
where: short stacking energy: -685.121
Base-Backbone interact. energy: 0.687
local terms energy: -692.403000
where:
bonds (distance) C4'-P energy: -113.631
bonds (distance) P-C4' energy: -128.998
flat angles C4'-P-C4' energy: -149.099
flat angles P-C4'-P energy: -93.594
tors. eta vs tors. theta energy: -207.082
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: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2096.917430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.917430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.917430 (E_RNA)
where:
Base-Base interactions energy: -1430.679
where: short stacking energy: -593.572
Base-Backbone interact. energy: -3.199
local terms energy: -663.039725
where:
bonds (distance) C4'-P energy: -138.171
bonds (distance) P-C4' energy: -117.097
flat angles C4'-P-C4' energy: -149.164
flat angles P-C4'-P energy: -96.186
tors. eta vs tors. theta energy: -162.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1959.990688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.990688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.990688 (E_RNA)
where:
Base-Base interactions energy: -1325.346
where: short stacking energy: -575.851
Base-Backbone interact. energy: -4.022
local terms energy: -630.622684
where:
bonds (distance) C4'-P energy: -119.136
bonds (distance) P-C4' energy: -135.017
flat angles C4'-P-C4' energy: -130.592
flat angles P-C4'-P energy: -92.063
tors. eta vs tors. theta energy: -153.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1826.171964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.171964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.171964 (E_RNA)
where:
Base-Base interactions energy: -1241.821
where: short stacking energy: -508.835
Base-Backbone interact. energy: -2.993
local terms energy: -581.357910
where:
bonds (distance) C4'-P energy: -127.431
bonds (distance) P-C4' energy: -103.994
flat angles C4'-P-C4' energy: -132.009
flat angles P-C4'-P energy: -92.685
tors. eta vs tors. theta energy: -125.238
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: 6, replica: 8
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1556.883373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.883373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.883373 (E_RNA)
where:
Base-Base interactions energy: -992.409
where: short stacking energy: -447.582
Base-Backbone interact. energy: -1.351
local terms energy: -563.123975
where:
bonds (distance) C4'-P energy: -119.715
bonds (distance) P-C4' energy: -113.003
flat angles C4'-P-C4' energy: -131.631
flat angles P-C4'-P energy: -92.023
tors. eta vs tors. theta energy: -106.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1311.892182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.892182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.892182 (E_RNA)
where:
Base-Base interactions energy: -839.172
where: short stacking energy: -399.591
Base-Backbone interact. energy: 1.171
local terms energy: -473.890954
where:
bonds (distance) C4'-P energy: -99.963
bonds (distance) P-C4' energy: -97.596
flat angles C4'-P-C4' energy: -118.826
flat angles P-C4'-P energy: -81.669
tors. eta vs tors. theta energy: -75.837
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: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1251.092743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.092743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.092743 (E_RNA)
where:
Base-Base interactions energy: -794.624
where: short stacking energy: -359.663
Base-Backbone interact. energy: -0.612
local terms energy: -455.856868
where:
bonds (distance) C4'-P energy: -104.341
bonds (distance) P-C4' energy: -118.423
flat angles C4'-P-C4' energy: -105.823
flat angles P-C4'-P energy: -53.118
tors. eta vs tors. theta energy: -74.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1026.383387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.383387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.383387 (E_RNA)
where:
Base-Base interactions energy: -606.835
where: short stacking energy: -288.405
Base-Backbone interact. energy: -2.061
local terms energy: -417.486571
where:
bonds (distance) C4'-P energy: -110.663
bonds (distance) P-C4' energy: -117.426
flat angles C4'-P-C4' energy: -85.942
flat angles P-C4'-P energy: -63.499
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: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -721.834425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.834425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.834425 (E_RNA)
where:
Base-Base interactions energy: -366.619
where: short stacking energy: -219.772
Base-Backbone interact. energy: 5.069
local terms energy: -360.284022
where:
bonds (distance) C4'-P energy: -99.534
bonds (distance) P-C4' energy: -108.632
flat angles C4'-P-C4' energy: -96.643
flat angles P-C4'-P energy: -56.208
tors. eta vs tors. theta energy: 0.733
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: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2227.235328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.235328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.235328 (E_RNA)
where:
Base-Base interactions energy: -1530.720
where: short stacking energy: -677.766
Base-Backbone interact. energy: -1.545
local terms energy: -694.970518
where:
bonds (distance) C4'-P energy: -129.397
bonds (distance) P-C4' energy: -136.277
flat angles C4'-P-C4' energy: -145.733
flat angles P-C4'-P energy: -96.570
tors. eta vs tors. theta energy: -186.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2199.042131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.042131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.042131 (E_RNA)
where:
Base-Base interactions energy: -1505.222
where: short stacking energy: -664.084
Base-Backbone interact. energy: 1.198
local terms energy: -695.018036
where:
bonds (distance) C4'-P energy: -130.207
bonds (distance) P-C4' energy: -140.646
flat angles C4'-P-C4' energy: -149.225
flat angles P-C4'-P energy: -83.321
tors. eta vs tors. theta energy: -191.620
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: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2106.718730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.718730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.718730 (E_RNA)
where:
Base-Base interactions energy: -1468.584
where: short stacking energy: -598.194
Base-Backbone interact. energy: 1.850
local terms energy: -639.984555
where:
bonds (distance) C4'-P energy: -115.521
bonds (distance) P-C4' energy: -128.580
flat angles C4'-P-C4' energy: -140.244
flat angles P-C4'-P energy: -92.534
tors. eta vs tors. theta energy: -163.106
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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1926.238187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.238187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.238187 (E_RNA)
where:
Base-Base interactions energy: -1303.750
where: short stacking energy: -588.028
Base-Backbone interact. energy: 2.316
local terms energy: -624.804871
where:
bonds (distance) C4'-P energy: -119.332
bonds (distance) P-C4' energy: -109.634
flat angles C4'-P-C4' energy: -135.437
flat angles P-C4'-P energy: -90.826
tors. eta vs tors. theta energy: -169.577
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: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1762.744727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.744727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.744727 (E_RNA)
where:
Base-Base interactions energy: -1169.354
where: short stacking energy: -523.469
Base-Backbone interact. energy: -2.160
local terms energy: -591.230530
where:
bonds (distance) C4'-P energy: -114.331
bonds (distance) P-C4' energy: -110.499
flat angles C4'-P-C4' energy: -124.945
flat angles P-C4'-P energy: -101.151
tors. eta vs tors. theta energy: -140.304
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: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1570.703565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.703565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.703565 (E_RNA)
where:
Base-Base interactions energy: -1037.348
where: short stacking energy: -459.964
Base-Backbone interact. energy: -2.002
local terms energy: -531.353902
where:
bonds (distance) C4'-P energy: -114.989
bonds (distance) P-C4' energy: -103.732
flat angles C4'-P-C4' energy: -110.581
flat angles P-C4'-P energy: -76.291
tors. eta vs tors. theta energy: -125.761
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: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1331.075940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.075940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.075940 (E_RNA)
where:
Base-Base interactions energy: -858.478
where: short stacking energy: -417.755
Base-Backbone interact. energy: -1.516
local terms energy: -471.081672
where:
bonds (distance) C4'-P energy: -102.835
bonds (distance) P-C4' energy: -108.951
flat angles C4'-P-C4' energy: -114.334
flat angles P-C4'-P energy: -67.131
tors. eta vs tors. theta energy: -77.831
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: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1212.995830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.995830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.995830 (E_RNA)
where:
Base-Base interactions energy: -777.777
where: short stacking energy: -371.435
Base-Backbone interact. energy: 2.535
local terms energy: -437.754389
where:
bonds (distance) C4'-P energy: -117.034
bonds (distance) P-C4' energy: -117.684
flat angles C4'-P-C4' energy: -111.822
flat angles P-C4'-P energy: -40.384
tors. eta vs tors. theta energy: -50.831
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: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1043.585343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.585343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.585343 (E_RNA)
where:
Base-Base interactions energy: -623.493
where: short stacking energy: -299.729
Base-Backbone interact. energy: 3.659
local terms energy: -423.751102
where:
bonds (distance) C4'-P energy: -97.489
bonds (distance) P-C4' energy: -104.146
flat angles C4'-P-C4' energy: -102.605
flat angles P-C4'-P energy: -69.590
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: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -729.935279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.935279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.935279 (E_RNA)
where:
Base-Base interactions energy: -394.551
where: short stacking energy: -200.833
Base-Backbone interact. energy: 2.410
local terms energy: -337.794748
where:
bonds (distance) C4'-P energy: -99.843
bonds (distance) P-C4' energy: -113.213
flat angles C4'-P-C4' energy: -91.474
flat angles P-C4'-P energy: -50.707
tors. eta vs tors. theta energy: 17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2236.397734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.397734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.397734 (E_RNA)
where:
Base-Base interactions energy: -1521.377
where: short stacking energy: -652.645
Base-Backbone interact. energy: -2.407
local terms energy: -712.613502
where:
bonds (distance) C4'-P energy: -134.904
bonds (distance) P-C4' energy: -122.759
flat angles C4'-P-C4' energy: -150.491
flat angles P-C4'-P energy: -109.663
tors. eta vs tors. theta energy: -194.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2189.015630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.015630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.015630 (E_RNA)
where:
Base-Base interactions energy: -1483.054
where: short stacking energy: -662.993
Base-Backbone interact. energy: 0.217
local terms energy: -706.178799
where:
bonds (distance) C4'-P energy: -127.719
bonds (distance) P-C4' energy: -134.699
flat angles C4'-P-C4' energy: -139.036
flat angles P-C4'-P energy: -107.409
tors. eta vs tors. theta energy: -197.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2119.517885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.517885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.517885 (E_RNA)
where:
Base-Base interactions energy: -1446.668
where: short stacking energy: -609.733
Base-Backbone interact. energy: -3.035
local terms energy: -669.815463
where:
bonds (distance) C4'-P energy: -131.139
bonds (distance) P-C4' energy: -124.646
flat angles C4'-P-C4' energy: -147.872
flat angles P-C4'-P energy: -90.394
tors. eta vs tors. theta energy: -175.765
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: 199
Temperature: 1.050000
Total energy: -1928.054914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.054914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.054914 (E_RNA)
where:
Base-Base interactions energy: -1316.946
where: short stacking energy: -569.459
Base-Backbone interact. energy: -0.904
local terms energy: -610.204649
where:
bonds (distance) C4'-P energy: -135.435
bonds (distance) P-C4' energy: -116.655
flat angles C4'-P-C4' energy: -121.897
flat angles P-C4'-P energy: -84.289
tors. eta vs tors. theta energy: -151.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1781.411035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.411035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.411035 (E_RNA)
where:
Base-Base interactions energy: -1180.867
where: short stacking energy: -514.967
Base-Backbone interact. energy: 1.223
local terms energy: -601.767132
where:
bonds (distance) C4'-P energy: -118.917
bonds (distance) P-C4' energy: -131.333
flat angles C4'-P-C4' energy: -126.882
flat angles P-C4'-P energy: -82.470
tors. eta vs tors. theta energy: -142.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1611.066849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.066849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.066849 (E_RNA)
where:
Base-Base interactions energy: -1034.103
where: short stacking energy: -487.034
Base-Backbone interact. energy: 0.655
local terms energy: -577.618528
where:
bonds (distance) C4'-P energy: -114.033
bonds (distance) P-C4' energy: -133.331
flat angles C4'-P-C4' energy: -118.119
flat angles P-C4'-P energy: -96.616
tors. eta vs tors. theta energy: -115.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1342.567939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.567939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.567939 (E_RNA)
where:
Base-Base interactions energy: -854.622
where: short stacking energy: -376.643
Base-Backbone interact. energy: -0.331
local terms energy: -487.615471
where:
bonds (distance) C4'-P energy: -111.006
bonds (distance) P-C4' energy: -125.785
flat angles C4'-P-C4' energy: -109.868
flat angles P-C4'-P energy: -72.751
tors. eta vs tors. theta energy: -68.206
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: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1284.482527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.482527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.482527 (E_RNA)
where:
Base-Base interactions energy: -827.594
where: short stacking energy: -384.885
Base-Backbone interact. energy: 7.162
local terms energy: -464.050696
where:
bonds (distance) C4'-P energy: -97.033
bonds (distance) P-C4' energy: -116.551
flat angles C4'-P-C4' energy: -106.972
flat angles P-C4'-P energy: -60.351
tors. eta vs tors. theta energy: -83.144
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: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1002.475365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.475365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.475365 (E_RNA)
where:
Base-Base interactions energy: -568.206
where: short stacking energy: -275.294
Base-Backbone interact. energy: -3.282
local terms energy: -430.987919
where:
bonds (distance) C4'-P energy: -120.853
bonds (distance) P-C4' energy: -93.302
flat angles C4'-P-C4' energy: -114.636
flat angles P-C4'-P energy: -63.790
tors. eta vs tors. theta energy: -38.405
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: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -708.587986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.587986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.587986 (E_RNA)
where:
Base-Base interactions energy: -370.225
where: short stacking energy: -226.164
Base-Backbone interact. energy: -2.170
local terms energy: -336.192594
where:
bonds (distance) C4'-P energy: -94.276
bonds (distance) P-C4' energy: -102.034
flat angles C4'-P-C4' energy: -98.972
flat angles P-C4'-P energy: -40.144
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2243.525548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.525548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.525548 (E_RNA)
where:
Base-Base interactions energy: -1520.584
where: short stacking energy: -672.772
Base-Backbone interact. energy: -1.894
local terms energy: -721.046785
where:
bonds (distance) C4'-P energy: -128.038
bonds (distance) P-C4' energy: -142.318
flat angles C4'-P-C4' energy: -152.530
flat angles P-C4'-P energy: -93.188
tors. eta vs tors. theta energy: -204.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2190.169181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.169181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.169181 (E_RNA)
where:
Base-Base interactions energy: -1491.658
where: short stacking energy: -654.441
Base-Backbone interact. energy: -2.137
local terms energy: -696.374708
where:
bonds (distance) C4'-P energy: -123.790
bonds (distance) P-C4' energy: -129.322
flat angles C4'-P-C4' energy: -143.734
flat angles P-C4'-P energy: -106.103
tors. eta vs tors. theta energy: -193.425
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: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2133.099488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.099488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.099488 (E_RNA)
where:
Base-Base interactions energy: -1451.120
where: short stacking energy: -632.736
Base-Backbone interact. energy: 3.555
local terms energy: -685.533994
where:
bonds (distance) C4'-P energy: -128.252
bonds (distance) P-C4' energy: -134.366
flat angles C4'-P-C4' energy: -143.877
flat angles P-C4'-P energy: -96.209
tors. eta vs tors. theta energy: -182.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1951.868390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.868390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.868390 (E_RNA)
where:
Base-Base interactions energy: -1314.450
where: short stacking energy: -567.807
Base-Backbone interact. energy: 1.795
local terms energy: -639.213564
where:
bonds (distance) C4'-P energy: -119.175
bonds (distance) P-C4' energy: -124.595
flat angles C4'-P-C4' energy: -140.226
flat angles P-C4'-P energy: -94.048
tors. eta vs tors. theta energy: -161.169
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: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1833.636997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.636997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.636997 (E_RNA)
where:
Base-Base interactions energy: -1232.682
where: short stacking energy: -535.547
Base-Backbone interact. energy: 0.653
local terms energy: -601.608148
where:
bonds (distance) C4'-P energy: -114.676
bonds (distance) P-C4' energy: -111.887
flat angles C4'-P-C4' energy: -122.740
flat angles P-C4'-P energy: -96.350
tors. eta vs tors. theta energy: -155.955
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: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1673.483628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.483628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.483628 (E_RNA)
where:
Base-Base interactions energy: -1097.250
where: short stacking energy: -511.753
Base-Backbone interact. energy: 0.453
local terms energy: -576.686450
where:
bonds (distance) C4'-P energy: -112.172
bonds (distance) P-C4' energy: -104.205
flat angles C4'-P-C4' energy: -135.040
flat angles P-C4'-P energy: -83.760
tors. eta vs tors. theta energy: -141.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1384.563969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.563969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.563969 (E_RNA)
where:
Base-Base interactions energy: -870.869
where: short stacking energy: -392.160
Base-Backbone interact. energy: -0.618
local terms energy: -513.077477
where:
bonds (distance) C4'-P energy: -110.582
bonds (distance) P-C4' energy: -128.411
flat angles C4'-P-C4' energy: -115.722
flat angles P-C4'-P energy: -61.178
tors. eta vs tors. theta energy: -97.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1237.236447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.236447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.236447 (E_RNA)
where:
Base-Base interactions energy: -777.529
where: short stacking energy: -352.364
Base-Backbone interact. energy: 4.273
local terms energy: -463.980758
where:
bonds (distance) C4'-P energy: -108.601
bonds (distance) P-C4' energy: -125.666
flat angles C4'-P-C4' energy: -108.852
flat angles P-C4'-P energy: -68.860
tors. eta vs tors. theta energy: -52.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1039.746636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.746636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.746636 (E_RNA)
where:
Base-Base interactions energy: -602.807
where: short stacking energy: -283.408
Base-Backbone interact. energy: -0.187
local terms energy: -436.752145
where:
bonds (distance) C4'-P energy: -100.299
bonds (distance) P-C4' energy: -141.258
flat angles C4'-P-C4' energy: -97.645
flat angles P-C4'-P energy: -80.907
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -719.228655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.228655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.228655 (E_RNA)
where:
Base-Base interactions energy: -355.383
where: short stacking energy: -213.190
Base-Backbone interact. energy: 4.237
local terms energy: -368.082529
where:
bonds (distance) C4'-P energy: -110.621
bonds (distance) P-C4' energy: -108.921
flat angles C4'-P-C4' energy: -85.171
flat angles P-C4'-P energy: -57.211
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2268.979698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.979698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.979698 (E_RNA)
where:
Base-Base interactions energy: -1551.683
where: short stacking energy: -709.310
Base-Backbone interact. energy: -0.009
local terms energy: -717.288541
where:
bonds (distance) C4'-P energy: -117.714
bonds (distance) P-C4' energy: -124.880
flat angles C4'-P-C4' energy: -153.853
flat angles P-C4'-P energy: -103.790
tors. eta vs tors. theta energy: -217.051
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: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2201.290218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.290218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.290218 (E_RNA)
where:
Base-Base interactions energy: -1497.408
where: short stacking energy: -669.897
Base-Backbone interact. energy: -2.789
local terms energy: -701.093577
where:
bonds (distance) C4'-P energy: -133.709
bonds (distance) P-C4' energy: -117.599
flat angles C4'-P-C4' energy: -153.082
flat angles P-C4'-P energy: -96.528
tors. eta vs tors. theta energy: -200.175
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: 201
Temperature: 1.000000
Total energy: -2093.694348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.694348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.694348 (E_RNA)
where:
Base-Base interactions energy: -1442.824
where: short stacking energy: -617.484
Base-Backbone interact. energy: -3.720
local terms energy: -647.150456
where:
bonds (distance) C4'-P energy: -113.566
bonds (distance) P-C4' energy: -120.406
flat angles C4'-P-C4' energy: -151.375
flat angles P-C4'-P energy: -93.072
tors. eta vs tors. theta energy: -168.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1947.806260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.806260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.806260 (E_RNA)
where:
Base-Base interactions energy: -1344.126
where: short stacking energy: -570.349
Base-Backbone interact. energy: -0.683
local terms energy: -602.997090
where:
bonds (distance) C4'-P energy: -113.385
bonds (distance) P-C4' energy: -101.968
flat angles C4'-P-C4' energy: -136.255
flat angles P-C4'-P energy: -92.280
tors. eta vs tors. theta energy: -159.110
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: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1823.559331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.559331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.559331 (E_RNA)
where:
Base-Base interactions energy: -1226.518
where: short stacking energy: -503.125
Base-Backbone interact. energy: -3.374
local terms energy: -593.668045
where:
bonds (distance) C4'-P energy: -117.879
bonds (distance) P-C4' energy: -112.516
flat angles C4'-P-C4' energy: -135.199
flat angles P-C4'-P energy: -87.511
tors. eta vs tors. theta energy: -140.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1673.164482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.164482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.164482 (E_RNA)
where:
Base-Base interactions energy: -1122.825
where: short stacking energy: -518.912
Base-Backbone interact. energy: -3.481
local terms energy: -546.859047
where:
bonds (distance) C4'-P energy: -111.069
bonds (distance) P-C4' energy: -115.865
flat angles C4'-P-C4' energy: -102.577
flat angles P-C4'-P energy: -70.004
tors. eta vs tors. theta energy: -147.344
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: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1325.904912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.904912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.904912 (E_RNA)
where:
Base-Base interactions energy: -839.688
where: short stacking energy: -384.699
Base-Backbone interact. energy: -1.458
local terms energy: -484.759802
where:
bonds (distance) C4'-P energy: -115.164
bonds (distance) P-C4' energy: -106.235
flat angles C4'-P-C4' energy: -118.903
flat angles P-C4'-P energy: -63.674
tors. eta vs tors. theta energy: -80.784
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: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1230.432100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.432100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.432100 (E_RNA)
where:
Base-Base interactions energy: -761.098
where: short stacking energy: -347.082
Base-Backbone interact. energy: -3.247
local terms energy: -466.086907
where:
bonds (distance) C4'-P energy: -105.094
bonds (distance) P-C4' energy: -117.940
flat angles C4'-P-C4' energy: -106.580
flat angles P-C4'-P energy: -68.991
tors. eta vs tors. theta energy: -67.482
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: 201
Temperature: 1.300000
Total energy: -1013.026408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.026408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.026408 (E_RNA)
where:
Base-Base interactions energy: -598.012
where: short stacking energy: -266.772
Base-Backbone interact. energy: -4.656
local terms energy: -410.358601
where:
bonds (distance) C4'-P energy: -111.843
bonds (distance) P-C4' energy: -108.660
flat angles C4'-P-C4' energy: -114.456
flat angles P-C4'-P energy: -51.266
tors. eta vs tors. theta energy: -24.134
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: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -730.689344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.689344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.689344 (E_RNA)
where:
Base-Base interactions energy: -362.857
where: short stacking energy: -194.143
Base-Backbone interact. energy: -0.531
local terms energy: -367.301388
where:
bonds (distance) C4'-P energy: -104.172
bonds (distance) P-C4' energy: -133.555
flat angles C4'-P-C4' energy: -84.961
flat angles P-C4'-P energy: -43.085
tors. eta vs tors. theta energy: -1.529
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: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2265.864597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.864597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.864597 (E_RNA)
where:
Base-Base interactions energy: -1555.123
where: short stacking energy: -674.631
Base-Backbone interact. energy: -0.665
local terms energy: -710.077313
where:
bonds (distance) C4'-P energy: -131.341
bonds (distance) P-C4' energy: -128.684
flat angles C4'-P-C4' energy: -153.318
flat angles P-C4'-P energy: -96.279
tors. eta vs tors. theta energy: -200.454
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: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2197.844813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.844813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.844813 (E_RNA)
where:
Base-Base interactions energy: -1476.548
where: short stacking energy: -661.078
Base-Backbone interact. energy: -1.375
local terms energy: -719.921864
where:
bonds (distance) C4'-P energy: -134.104
bonds (distance) P-C4' energy: -123.765
flat angles C4'-P-C4' energy: -146.790
flat angles P-C4'-P energy: -105.060
tors. eta vs tors. theta energy: -210.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2075.621091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.621091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.621091 (E_RNA)
where:
Base-Base interactions energy: -1424.467
where: short stacking energy: -615.598
Base-Backbone interact. energy: -5.134
local terms energy: -646.020589
where:
bonds (distance) C4'-P energy: -126.223
bonds (distance) P-C4' energy: -118.597
flat angles C4'-P-C4' energy: -152.186
flat angles P-C4'-P energy: -79.509
tors. eta vs tors. theta energy: -169.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1930.135587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.135587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.135587 (E_RNA)
where:
Base-Base interactions energy: -1299.551
where: short stacking energy: -552.328
Base-Backbone interact. energy: 1.860
local terms energy: -632.444301
where:
bonds (distance) C4'-P energy: -113.661
bonds (distance) P-C4' energy: -126.166
flat angles C4'-P-C4' energy: -136.871
flat angles P-C4'-P energy: -92.478
tors. eta vs tors. theta energy: -163.269
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: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1735.976623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.976623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.976623 (E_RNA)
where:
Base-Base interactions energy: -1125.918
where: short stacking energy: -517.326
Base-Backbone interact. energy: -1.420
local terms energy: -608.638209
where:
bonds (distance) C4'-P energy: -109.151
bonds (distance) P-C4' energy: -125.198
flat angles C4'-P-C4' energy: -145.731
flat angles P-C4'-P energy: -80.967
tors. eta vs tors. theta energy: -147.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1681.450549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.450549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.450549 (E_RNA)
where:
Base-Base interactions energy: -1111.921
where: short stacking energy: -484.353
Base-Backbone interact. energy: -2.829
local terms energy: -566.701463
where:
bonds (distance) C4'-P energy: -112.424
bonds (distance) P-C4' energy: -120.923
flat angles C4'-P-C4' energy: -132.142
flat angles P-C4'-P energy: -81.027
tors. eta vs tors. theta energy: -120.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1313.646228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.646228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.646228 (E_RNA)
where:
Base-Base interactions energy: -824.554
where: short stacking energy: -406.097
Base-Backbone interact. energy: 3.719
local terms energy: -492.810537
where:
bonds (distance) C4'-P energy: -107.704
bonds (distance) P-C4' energy: -97.222
flat angles C4'-P-C4' energy: -122.774
flat angles P-C4'-P energy: -84.786
tors. eta vs tors. theta energy: -80.324
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: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1309.037918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.037918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.037918 (E_RNA)
where:
Base-Base interactions energy: -840.179
where: short stacking energy: -383.305
Base-Backbone interact. energy: -1.494
local terms energy: -467.365044
where:
bonds (distance) C4'-P energy: -124.824
bonds (distance) P-C4' energy: -112.763
flat angles C4'-P-C4' energy: -103.457
flat angles P-C4'-P energy: -57.865
tors. eta vs tors. theta energy: -68.456
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: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1005.578874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.578874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.578874 (E_RNA)
where:
Base-Base interactions energy: -601.098
where: short stacking energy: -274.556
Base-Backbone interact. energy: 0.188
local terms energy: -404.668936
where:
bonds (distance) C4'-P energy: -88.701
bonds (distance) P-C4' energy: -116.673
flat angles C4'-P-C4' energy: -102.639
flat angles P-C4'-P energy: -63.883
tors. eta vs tors. theta energy: -32.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -736.667321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.667321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.667321 (E_RNA)
where:
Base-Base interactions energy: -355.074
where: short stacking energy: -193.426
Base-Backbone interact. energy: 1.657
local terms energy: -383.250520
where:
bonds (distance) C4'-P energy: -110.005
bonds (distance) P-C4' energy: -105.895
flat angles C4'-P-C4' energy: -100.433
flat angles P-C4'-P energy: -62.637
tors. eta vs tors. theta energy: -4.280
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: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2269.925815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.925815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.925815 (E_RNA)
where:
Base-Base interactions energy: -1558.782
where: short stacking energy: -699.150
Base-Backbone interact. energy: -0.391
local terms energy: -710.752775
where:
bonds (distance) C4'-P energy: -128.634
bonds (distance) P-C4' energy: -117.572
flat angles C4'-P-C4' energy: -151.197
flat angles P-C4'-P energy: -101.954
tors. eta vs tors. theta energy: -211.396
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: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2197.141443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.141443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.141443 (E_RNA)
where:
Base-Base interactions energy: -1507.313
where: short stacking energy: -691.568
Base-Backbone interact. energy: -1.365
local terms energy: -688.463345
where:
bonds (distance) C4'-P energy: -125.687
bonds (distance) P-C4' energy: -125.511
flat angles C4'-P-C4' energy: -135.001
flat angles P-C4'-P energy: -106.415
tors. eta vs tors. theta energy: -195.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2079.577579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.577579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.577579 (E_RNA)
where:
Base-Base interactions energy: -1428.115
where: short stacking energy: -612.454
Base-Backbone interact. energy: -0.535
local terms energy: -650.927489
where:
bonds (distance) C4'-P energy: -126.013
bonds (distance) P-C4' energy: -118.011
flat angles C4'-P-C4' energy: -142.001
flat angles P-C4'-P energy: -94.608
tors. eta vs tors. theta energy: -170.295
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: 203
Temperature: 1.050000
Total energy: -1897.042940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.042940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.042940 (E_RNA)
where:
Base-Base interactions energy: -1269.959
where: short stacking energy: -567.798
Base-Backbone interact. energy: 0.702
local terms energy: -627.785551
where:
bonds (distance) C4'-P energy: -135.295
bonds (distance) P-C4' energy: -126.066
flat angles C4'-P-C4' energy: -138.859
flat angles P-C4'-P energy: -74.479
tors. eta vs tors. theta energy: -153.086
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: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1728.031801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.031801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.031801 (E_RNA)
where:
Base-Base interactions energy: -1143.796
where: short stacking energy: -530.025
Base-Backbone interact. energy: -4.440
local terms energy: -579.795434
where:
bonds (distance) C4'-P energy: -112.442
bonds (distance) P-C4' energy: -131.071
flat angles C4'-P-C4' energy: -134.027
flat angles P-C4'-P energy: -72.860
tors. eta vs tors. theta energy: -129.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1712.761623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.761623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.761623 (E_RNA)
where:
Base-Base interactions energy: -1172.887
where: short stacking energy: -492.259
Base-Backbone interact. energy: 3.845
local terms energy: -543.719020
where:
bonds (distance) C4'-P energy: -99.241
bonds (distance) P-C4' energy: -105.974
flat angles C4'-P-C4' energy: -135.532
flat angles P-C4'-P energy: -75.551
tors. eta vs tors. theta energy: -127.420
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: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1357.810991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.810991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.810991 (E_RNA)
where:
Base-Base interactions energy: -873.018
where: short stacking energy: -395.709
Base-Backbone interact. energy: -3.352
local terms energy: -481.441172
where:
bonds (distance) C4'-P energy: -96.811
bonds (distance) P-C4' energy: -120.881
flat angles C4'-P-C4' energy: -114.392
flat angles P-C4'-P energy: -77.395
tors. eta vs tors. theta energy: -71.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1230.341170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.341170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.341170 (E_RNA)
where:
Base-Base interactions energy: -790.646
where: short stacking energy: -345.732
Base-Backbone interact. energy: 1.083
local terms energy: -440.778764
where:
bonds (distance) C4'-P energy: -109.702
bonds (distance) P-C4' energy: -96.503
flat angles C4'-P-C4' energy: -113.311
flat angles P-C4'-P energy: -65.215
tors. eta vs tors. theta energy: -56.048
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: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -994.233632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.233632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.233632 (E_RNA)
where:
Base-Base interactions energy: -560.517
where: short stacking energy: -259.509
Base-Backbone interact. energy: -2.210
local terms energy: -431.506887
where:
bonds (distance) C4'-P energy: -111.325
bonds (distance) P-C4' energy: -121.419
flat angles C4'-P-C4' energy: -107.270
flat angles P-C4'-P energy: -61.568
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -709.451010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.451010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.451010 (E_RNA)
where:
Base-Base interactions energy: -345.917
where: short stacking energy: -188.564
Base-Backbone interact. energy: -1.012
local terms energy: -362.522064
where:
bonds (distance) C4'-P energy: -111.119
bonds (distance) P-C4' energy: -116.066
flat angles C4'-P-C4' energy: -88.984
flat angles P-C4'-P energy: -61.243
tors. eta vs tors. theta energy: 14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2267.832720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.832720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.832720 (E_RNA)
where:
Base-Base interactions energy: -1548.765
where: short stacking energy: -683.362
Base-Backbone interact. energy: -2.264
local terms energy: -716.804015
where:
bonds (distance) C4'-P energy: -118.023
bonds (distance) P-C4' energy: -140.867
flat angles C4'-P-C4' energy: -150.194
flat angles P-C4'-P energy: -97.020
tors. eta vs tors. theta energy: -210.701
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: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2215.982577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.982577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.982577 (E_RNA)
where:
Base-Base interactions energy: -1496.354
where: short stacking energy: -674.599
Base-Backbone interact. energy: -1.215
local terms energy: -718.413259
where:
bonds (distance) C4'-P energy: -128.123
bonds (distance) P-C4' energy: -138.041
flat angles C4'-P-C4' energy: -149.123
flat angles P-C4'-P energy: -94.387
tors. eta vs tors. theta energy: -208.739
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: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1972.200620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.200620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.200620 (E_RNA)
where:
Base-Base interactions energy: -1330.400
where: short stacking energy: -590.712
Base-Backbone interact. energy: -1.458
local terms energy: -640.342952
where:
bonds (distance) C4'-P energy: -129.516
bonds (distance) P-C4' energy: -117.416
flat angles C4'-P-C4' energy: -146.023
flat angles P-C4'-P energy: -85.000
tors. eta vs tors. theta energy: -162.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2046.363633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.363633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.363633 (E_RNA)
where:
Base-Base interactions energy: -1406.689
where: short stacking energy: -588.438
Base-Backbone interact. energy: -2.578
local terms energy: -637.096993
where:
bonds (distance) C4'-P energy: -111.423
bonds (distance) P-C4' energy: -136.075
flat angles C4'-P-C4' energy: -137.253
flat angles P-C4'-P energy: -88.555
tors. eta vs tors. theta energy: -163.791
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: 204
Temperature: 1.100000
Total energy: -1782.732599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.732599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.732599 (E_RNA)
where:
Base-Base interactions energy: -1189.402
where: short stacking energy: -515.880
Base-Backbone interact. energy: 1.155
local terms energy: -594.485820
where:
bonds (distance) C4'-P energy: -111.729
bonds (distance) P-C4' energy: -119.983
flat angles C4'-P-C4' energy: -137.442
flat angles P-C4'-P energy: -95.082
tors. eta vs tors. theta energy: -130.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1696.481696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.481696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.481696 (E_RNA)
where:
Base-Base interactions energy: -1147.069
where: short stacking energy: -509.279
Base-Backbone interact. energy: -4.110
local terms energy: -545.302763
where:
bonds (distance) C4'-P energy: -88.949
bonds (distance) P-C4' energy: -120.842
flat angles C4'-P-C4' energy: -118.341
flat angles P-C4'-P energy: -84.103
tors. eta vs tors. theta energy: -133.067
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: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1371.654859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.654859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.654859 (E_RNA)
where:
Base-Base interactions energy: -873.283
where: short stacking energy: -413.133
Base-Backbone interact. energy: -3.952
local terms energy: -494.419590
where:
bonds (distance) C4'-P energy: -87.726
bonds (distance) P-C4' energy: -126.766
flat angles C4'-P-C4' energy: -116.973
flat angles P-C4'-P energy: -72.433
tors. eta vs tors. theta energy: -90.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1257.618821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.618821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.618821 (E_RNA)
where:
Base-Base interactions energy: -757.985
where: short stacking energy: -333.263
Base-Backbone interact. energy: 1.970
local terms energy: -501.603917
where:
bonds (distance) C4'-P energy: -120.207
bonds (distance) P-C4' energy: -126.630
flat angles C4'-P-C4' energy: -116.245
flat angles P-C4'-P energy: -79.146
tors. eta vs tors. theta energy: -59.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1042.837961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.837961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.837961 (E_RNA)
where:
Base-Base interactions energy: -603.990
where: short stacking energy: -306.932
Base-Backbone interact. energy: 0.010
local terms energy: -438.857480
where:
bonds (distance) C4'-P energy: -112.365
bonds (distance) P-C4' energy: -120.280
flat angles C4'-P-C4' energy: -101.050
flat angles P-C4'-P energy: -56.154
tors. eta vs tors. theta energy: -49.008
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: 204
Temperature: 1.350000
Total energy: -723.883689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.883689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.883689 (E_RNA)
where:
Base-Base interactions energy: -375.870
where: short stacking energy: -207.524
Base-Backbone interact. energy: -3.061
local terms energy: -344.953312
where:
bonds (distance) C4'-P energy: -114.805
bonds (distance) P-C4' energy: -106.952
flat angles C4'-P-C4' energy: -75.269
flat angles P-C4'-P energy: -40.863
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2260.918590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.918590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.918590 (E_RNA)
where:
Base-Base interactions energy: -1532.531
where: short stacking energy: -676.025
Base-Backbone interact. energy: -3.771
local terms energy: -724.616593
where:
bonds (distance) C4'-P energy: -132.787
bonds (distance) P-C4' energy: -128.086
flat angles C4'-P-C4' energy: -157.902
flat angles P-C4'-P energy: -102.112
tors. eta vs tors. theta energy: -203.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2216.369897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.369897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.369897 (E_RNA)
where:
Base-Base interactions energy: -1518.994
where: short stacking energy: -686.868
Base-Backbone interact. energy: -2.085
local terms energy: -695.290908
where:
bonds (distance) C4'-P energy: -119.450
bonds (distance) P-C4' energy: -123.615
flat angles C4'-P-C4' energy: -157.668
flat angles P-C4'-P energy: -86.729
tors. eta vs tors. theta energy: -207.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2039.324846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.324846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.324846 (E_RNA)
where:
Base-Base interactions energy: -1364.032
where: short stacking energy: -583.558
Base-Backbone interact. energy: -3.297
local terms energy: -671.996421
where:
bonds (distance) C4'-P energy: -134.791
bonds (distance) P-C4' energy: -146.241
flat angles C4'-P-C4' energy: -141.322
flat angles P-C4'-P energy: -85.329
tors. eta vs tors. theta energy: -164.313
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: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2022.714192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.714192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.714192 (E_RNA)
where:
Base-Base interactions energy: -1401.904
where: short stacking energy: -610.197
Base-Backbone interact. energy: -1.890
local terms energy: -618.920709
where:
bonds (distance) C4'-P energy: -125.529
bonds (distance) P-C4' energy: -116.020
flat angles C4'-P-C4' energy: -134.392
flat angles P-C4'-P energy: -81.649
tors. eta vs tors. theta energy: -161.331
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: 205
Temperature: 1.100000
Total energy: -1745.204284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.204284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.204284 (E_RNA)
where:
Base-Base interactions energy: -1139.360
where: short stacking energy: -510.574
Base-Backbone interact. energy: -1.911
local terms energy: -603.933389
where:
bonds (distance) C4'-P energy: -114.382
bonds (distance) P-C4' energy: -137.132
flat angles C4'-P-C4' energy: -138.954
flat angles P-C4'-P energy: -84.009
tors. eta vs tors. theta energy: -129.457
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: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1630.690640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.690640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.690640 (E_RNA)
where:
Base-Base interactions energy: -1085.288
where: short stacking energy: -487.770
Base-Backbone interact. energy: -0.827
local terms energy: -544.575819
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -117.095
flat angles C4'-P-C4' energy: -114.355
flat angles P-C4'-P energy: -82.310
tors. eta vs tors. theta energy: -124.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1359.008081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.008081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.008081 (E_RNA)
where:
Base-Base interactions energy: -886.436
where: short stacking energy: -411.239
Base-Backbone interact. energy: -2.458
local terms energy: -470.114671
where:
bonds (distance) C4'-P energy: -93.003
bonds (distance) P-C4' energy: -124.634
flat angles C4'-P-C4' energy: -103.677
flat angles P-C4'-P energy: -76.542
tors. eta vs tors. theta energy: -72.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1244.766515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.766515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.766515 (E_RNA)
where:
Base-Base interactions energy: -748.206
where: short stacking energy: -344.413
Base-Backbone interact. energy: -2.746
local terms energy: -493.814207
where:
bonds (distance) C4'-P energy: -104.341
bonds (distance) P-C4' energy: -124.205
flat angles C4'-P-C4' energy: -117.036
flat angles P-C4'-P energy: -81.806
tors. eta vs tors. theta energy: -66.425
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: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1043.364107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.364107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.364107 (E_RNA)
where:
Base-Base interactions energy: -624.216
where: short stacking energy: -291.904
Base-Backbone interact. energy: -1.146
local terms energy: -418.002627
where:
bonds (distance) C4'-P energy: -123.675
bonds (distance) P-C4' energy: -115.135
flat angles C4'-P-C4' energy: -92.981
flat angles P-C4'-P energy: -56.610
tors. eta vs tors. theta energy: -29.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -708.007072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.007072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.007072 (E_RNA)
where:
Base-Base interactions energy: -368.440
where: short stacking energy: -192.376
Base-Backbone interact. energy: -0.488
local terms energy: -339.079024
where:
bonds (distance) C4'-P energy: -105.770
bonds (distance) P-C4' energy: -103.296
flat angles C4'-P-C4' energy: -82.507
flat angles P-C4'-P energy: -62.342
tors. eta vs tors. theta energy: 14.836
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: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2298.911182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.911182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.911182 (E_RNA)
where:
Base-Base interactions energy: -1544.277
where: short stacking energy: -678.565
Base-Backbone interact. energy: -2.674
local terms energy: -751.959881
where:
bonds (distance) C4'-P energy: -130.897
bonds (distance) P-C4' energy: -145.311
flat angles C4'-P-C4' energy: -165.157
flat angles P-C4'-P energy: -108.243
tors. eta vs tors. theta energy: -202.351
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: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2175.628605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.628605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.628605 (E_RNA)
where:
Base-Base interactions energy: -1484.468
where: short stacking energy: -667.136
Base-Backbone interact. energy: -1.623
local terms energy: -689.537001
where:
bonds (distance) C4'-P energy: -129.013
bonds (distance) P-C4' energy: -121.401
flat angles C4'-P-C4' energy: -146.791
flat angles P-C4'-P energy: -89.835
tors. eta vs tors. theta energy: -202.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2038.832619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.832619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.832619 (E_RNA)
where:
Base-Base interactions energy: -1405.335
where: short stacking energy: -604.861
Base-Backbone interact. energy: -4.209
local terms energy: -629.287858
where:
bonds (distance) C4'-P energy: -115.480
bonds (distance) P-C4' energy: -112.101
flat angles C4'-P-C4' energy: -129.850
flat angles P-C4'-P energy: -96.471
tors. eta vs tors. theta energy: -175.385
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: 206
Temperature: 1.050000
Total energy: -1997.977068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.977068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.977068 (E_RNA)
where:
Base-Base interactions energy: -1372.594
where: short stacking energy: -588.783
Base-Backbone interact. energy: -2.713
local terms energy: -622.670215
where:
bonds (distance) C4'-P energy: -104.865
bonds (distance) P-C4' energy: -134.400
flat angles C4'-P-C4' energy: -132.582
flat angles P-C4'-P energy: -89.033
tors. eta vs tors. theta energy: -161.791
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: 206
Temperature: 1.100000
Total energy: -1781.224414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.224414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.224414 (E_RNA)
where:
Base-Base interactions energy: -1190.938
where: short stacking energy: -514.440
Base-Backbone interact. energy: -1.807
local terms energy: -588.479903
where:
bonds (distance) C4'-P energy: -109.539
bonds (distance) P-C4' energy: -121.786
flat angles C4'-P-C4' energy: -117.498
flat angles P-C4'-P energy: -97.354
tors. eta vs tors. theta energy: -142.303
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: 206
Temperature: 1.150000
Total energy: -1605.101646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.101646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.101646 (E_RNA)
where:
Base-Base interactions energy: -1042.820
where: short stacking energy: -460.361
Base-Backbone interact. energy: -2.204
local terms energy: -560.077942
where:
bonds (distance) C4'-P energy: -120.344
bonds (distance) P-C4' energy: -125.055
flat angles C4'-P-C4' energy: -127.053
flat angles P-C4'-P energy: -68.998
tors. eta vs tors. theta energy: -118.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1339.954763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.954763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.954763 (E_RNA)
where:
Base-Base interactions energy: -836.878
where: short stacking energy: -384.649
Base-Backbone interact. energy: 8.103
local terms energy: -511.178895
where:
bonds (distance) C4'-P energy: -101.767
bonds (distance) P-C4' energy: -114.946
flat angles C4'-P-C4' energy: -117.926
flat angles P-C4'-P energy: -84.776
tors. eta vs tors. theta energy: -91.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1201.572284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.572284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.572284 (E_RNA)
where:
Base-Base interactions energy: -768.055
where: short stacking energy: -356.338
Base-Backbone interact. energy: -2.511
local terms energy: -431.006266
where:
bonds (distance) C4'-P energy: -79.339
bonds (distance) P-C4' energy: -110.628
flat angles C4'-P-C4' energy: -105.955
flat angles P-C4'-P energy: -74.762
tors. eta vs tors. theta energy: -60.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1097.104851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.104851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.104851 (E_RNA)
where:
Base-Base interactions energy: -674.623
where: short stacking energy: -314.842
Base-Backbone interact. energy: -2.133
local terms energy: -420.348471
where:
bonds (distance) C4'-P energy: -92.063
bonds (distance) P-C4' energy: -104.250
flat angles C4'-P-C4' energy: -111.321
flat angles P-C4'-P energy: -81.104
tors. eta vs tors. theta energy: -31.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -748.384621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.384621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.384621 (E_RNA)
where:
Base-Base interactions energy: -378.914
where: short stacking energy: -209.062
Base-Backbone interact. energy: 0.780
local terms energy: -370.250991
where:
bonds (distance) C4'-P energy: -103.560
bonds (distance) P-C4' energy: -104.167
flat angles C4'-P-C4' energy: -92.523
flat angles P-C4'-P energy: -62.745
tors. eta vs tors. theta energy: -7.256
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: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2282.689128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.689128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.689128 (E_RNA)
where:
Base-Base interactions energy: -1544.283
where: short stacking energy: -673.541
Base-Backbone interact. energy: 0.695
local terms energy: -739.101132
where:
bonds (distance) C4'-P energy: -138.029
bonds (distance) P-C4' energy: -136.819
flat angles C4'-P-C4' energy: -159.338
flat angles P-C4'-P energy: -103.091
tors. eta vs tors. theta energy: -201.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2181.455059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.455059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.455059 (E_RNA)
where:
Base-Base interactions energy: -1489.125
where: short stacking energy: -659.352
Base-Backbone interact. energy: -1.382
local terms energy: -690.947437
where:
bonds (distance) C4'-P energy: -127.687
bonds (distance) P-C4' energy: -117.829
flat angles C4'-P-C4' energy: -144.169
flat angles P-C4'-P energy: -101.170
tors. eta vs tors. theta energy: -200.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2039.773676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.773676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.773676 (E_RNA)
where:
Base-Base interactions energy: -1388.066
where: short stacking energy: -594.901
Base-Backbone interact. energy: -4.512
local terms energy: -647.195325
where:
bonds (distance) C4'-P energy: -116.438
bonds (distance) P-C4' energy: -122.707
flat angles C4'-P-C4' energy: -145.780
flat angles P-C4'-P energy: -97.502
tors. eta vs tors. theta energy: -164.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2009.362927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.362927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.362927 (E_RNA)
where:
Base-Base interactions energy: -1366.321
where: short stacking energy: -575.291
Base-Backbone interact. energy: -0.968
local terms energy: -642.073305
where:
bonds (distance) C4'-P energy: -113.855
bonds (distance) P-C4' energy: -123.046
flat angles C4'-P-C4' energy: -146.955
flat angles P-C4'-P energy: -89.390
tors. eta vs tors. theta energy: -168.827
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: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1749.590818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.590818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.590818 (E_RNA)
where:
Base-Base interactions energy: -1177.928
where: short stacking energy: -498.897
Base-Backbone interact. energy: -0.936
local terms energy: -570.726698
where:
bonds (distance) C4'-P energy: -112.734
bonds (distance) P-C4' energy: -125.644
flat angles C4'-P-C4' energy: -123.953
flat angles P-C4'-P energy: -70.802
tors. eta vs tors. theta energy: -137.593
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: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1632.975592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.975592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.975592 (E_RNA)
where:
Base-Base interactions energy: -1076.833
where: short stacking energy: -483.733
Base-Backbone interact. energy: 1.230
local terms energy: -557.372738
where:
bonds (distance) C4'-P energy: -116.375
bonds (distance) P-C4' energy: -109.434
flat angles C4'-P-C4' energy: -134.272
flat angles P-C4'-P energy: -75.201
tors. eta vs tors. theta energy: -122.091
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: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1353.563016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.563016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.563016 (E_RNA)
where:
Base-Base interactions energy: -855.560
where: short stacking energy: -410.306
Base-Backbone interact. energy: -3.451
local terms energy: -494.552014
where:
bonds (distance) C4'-P energy: -105.439
bonds (distance) P-C4' energy: -116.312
flat angles C4'-P-C4' energy: -109.099
flat angles P-C4'-P energy: -72.209
tors. eta vs tors. theta energy: -91.492
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: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1235.597185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.597185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.597185 (E_RNA)
where:
Base-Base interactions energy: -779.477
where: short stacking energy: -360.759
Base-Backbone interact. energy: -0.587
local terms energy: -455.533367
where:
bonds (distance) C4'-P energy: -101.119
bonds (distance) P-C4' energy: -110.964
flat angles C4'-P-C4' energy: -106.125
flat angles P-C4'-P energy: -60.886
tors. eta vs tors. theta energy: -76.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -968.992550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.992550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.992550 (E_RNA)
where:
Base-Base interactions energy: -589.156
where: short stacking energy: -296.997
Base-Backbone interact. energy: 2.858
local terms energy: -382.694554
where:
bonds (distance) C4'-P energy: -80.901
bonds (distance) P-C4' energy: -111.832
flat angles C4'-P-C4' energy: -87.716
flat angles P-C4'-P energy: -58.727
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: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -737.248304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.248304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.248304 (E_RNA)
where:
Base-Base interactions energy: -371.362
where: short stacking energy: -199.191
Base-Backbone interact. energy: 2.703
local terms energy: -368.589846
where:
bonds (distance) C4'-P energy: -102.672
bonds (distance) P-C4' energy: -114.806
flat angles C4'-P-C4' energy: -91.361
flat angles P-C4'-P energy: -64.176
tors. eta vs tors. theta energy: 4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2284.488442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.488442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.488442 (E_RNA)
where:
Base-Base interactions energy: -1553.175
where: short stacking energy: -675.589
Base-Backbone interact. energy: -3.126
local terms energy: -728.186988
where:
bonds (distance) C4'-P energy: -125.000
bonds (distance) P-C4' energy: -139.948
flat angles C4'-P-C4' energy: -156.849
flat angles P-C4'-P energy: -99.784
tors. eta vs tors. theta energy: -206.606
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: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2179.726172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.726172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.726172 (E_RNA)
where:
Base-Base interactions energy: -1449.528
where: short stacking energy: -630.182
Base-Backbone interact. energy: 0.295
local terms energy: -730.493745
where:
bonds (distance) C4'-P energy: -142.329
bonds (distance) P-C4' energy: -134.325
flat angles C4'-P-C4' energy: -153.397
flat angles P-C4'-P energy: -107.126
tors. eta vs tors. theta energy: -193.317
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: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2099.666695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.666695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.666695 (E_RNA)
where:
Base-Base interactions energy: -1423.845
where: short stacking energy: -606.826
Base-Backbone interact. energy: -4.040
local terms energy: -671.781230
where:
bonds (distance) C4'-P energy: -129.688
bonds (distance) P-C4' energy: -141.064
flat angles C4'-P-C4' energy: -131.238
flat angles P-C4'-P energy: -96.397
tors. eta vs tors. theta energy: -173.394
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: 208
Temperature: 1.050000
Total energy: -1984.082549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.082549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.082549 (E_RNA)
where:
Base-Base interactions energy: -1340.303
where: short stacking energy: -583.753
Base-Backbone interact. energy: -4.103
local terms energy: -639.676161
where:
bonds (distance) C4'-P energy: -105.006
bonds (distance) P-C4' energy: -141.061
flat angles C4'-P-C4' energy: -131.579
flat angles P-C4'-P energy: -89.268
tors. eta vs tors. theta energy: -172.763
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: 208
Temperature: 1.100000
Total energy: -1807.552333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.552333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.552333 (E_RNA)
where:
Base-Base interactions energy: -1215.866
where: short stacking energy: -501.494
Base-Backbone interact. energy: -2.271
local terms energy: -589.415223
where:
bonds (distance) C4'-P energy: -128.780
bonds (distance) P-C4' energy: -100.901
flat angles C4'-P-C4' energy: -130.914
flat angles P-C4'-P energy: -84.672
tors. eta vs tors. theta energy: -144.149
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: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1607.382980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.382980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.382980 (E_RNA)
where:
Base-Base interactions energy: -1059.801
where: short stacking energy: -464.225
Base-Backbone interact. energy: -1.219
local terms energy: -546.362986
where:
bonds (distance) C4'-P energy: -114.369
bonds (distance) P-C4' energy: -119.755
flat angles C4'-P-C4' energy: -128.771
flat angles P-C4'-P energy: -73.000
tors. eta vs tors. theta energy: -110.469
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: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1390.079004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.079004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.079004 (E_RNA)
where:
Base-Base interactions energy: -872.715
where: short stacking energy: -402.163
Base-Backbone interact. energy: -0.852
local terms energy: -516.512281
where:
bonds (distance) C4'-P energy: -105.974
bonds (distance) P-C4' energy: -132.042
flat angles C4'-P-C4' energy: -131.914
flat angles P-C4'-P energy: -59.027
tors. eta vs tors. theta energy: -87.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1219.541782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.541782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.541782 (E_RNA)
where:
Base-Base interactions energy: -757.358
where: short stacking energy: -367.043
Base-Backbone interact. energy: 4.221
local terms energy: -466.404317
where:
bonds (distance) C4'-P energy: -85.165
bonds (distance) P-C4' energy: -104.649
flat angles C4'-P-C4' energy: -129.399
flat angles P-C4'-P energy: -91.965
tors. eta vs tors. theta energy: -55.226
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: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1012.052032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.052032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.052032 (E_RNA)
where:
Base-Base interactions energy: -617.779
where: short stacking energy: -288.145
Base-Backbone interact. energy: 1.671
local terms energy: -395.944554
where:
bonds (distance) C4'-P energy: -102.477
bonds (distance) P-C4' energy: -108.198
flat angles C4'-P-C4' energy: -102.087
flat angles P-C4'-P energy: -44.589
tors. eta vs tors. theta energy: -38.594
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: 208
Temperature: 1.350000
Total energy: -721.410163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.410163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.410163 (E_RNA)
where:
Base-Base interactions energy: -368.469
where: short stacking energy: -220.091
Base-Backbone interact. energy: 1.119
local terms energy: -354.060085
where:
bonds (distance) C4'-P energy: -112.547
bonds (distance) P-C4' energy: -118.110
flat angles C4'-P-C4' energy: -70.627
flat angles P-C4'-P energy: -57.359
tors. eta vs tors. theta energy: 4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2260.059566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.059566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.059566 (E_RNA)
where:
Base-Base interactions energy: -1540.618
where: short stacking energy: -676.389
Base-Backbone interact. energy: -1.307
local terms energy: -718.135279
where:
bonds (distance) C4'-P energy: -120.845
bonds (distance) P-C4' energy: -134.177
flat angles C4'-P-C4' energy: -153.733
flat angles P-C4'-P energy: -105.480
tors. eta vs tors. theta energy: -203.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2244.827747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.827747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.827747 (E_RNA)
where:
Base-Base interactions energy: -1531.654
where: short stacking energy: -666.996
Base-Backbone interact. energy: -2.659
local terms energy: -710.514798
where:
bonds (distance) C4'-P energy: -137.384
bonds (distance) P-C4' energy: -132.594
flat angles C4'-P-C4' energy: -144.276
flat angles P-C4'-P energy: -103.051
tors. eta vs tors. theta energy: -193.209
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: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2135.427610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.427610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.427610 (E_RNA)
where:
Base-Base interactions energy: -1464.660
where: short stacking energy: -628.008
Base-Backbone interact. energy: 1.069
local terms energy: -671.837141
where:
bonds (distance) C4'-P energy: -116.703
bonds (distance) P-C4' energy: -138.750
flat angles C4'-P-C4' energy: -138.464
flat angles P-C4'-P energy: -98.584
tors. eta vs tors. theta energy: -179.336
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: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1945.220203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.220203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.220203 (E_RNA)
where:
Base-Base interactions energy: -1342.473
where: short stacking energy: -582.485
Base-Backbone interact. energy: 0.942
local terms energy: -603.689595
where:
bonds (distance) C4'-P energy: -109.755
bonds (distance) P-C4' energy: -121.443
flat angles C4'-P-C4' energy: -140.610
flat angles P-C4'-P energy: -79.631
tors. eta vs tors. theta energy: -152.251
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: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1803.993909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.993909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.993909 (E_RNA)
where:
Base-Base interactions energy: -1229.737
where: short stacking energy: -543.346
Base-Backbone interact. energy: -1.141
local terms energy: -573.116342
where:
bonds (distance) C4'-P energy: -105.270
bonds (distance) P-C4' energy: -108.860
flat angles C4'-P-C4' energy: -138.625
flat angles P-C4'-P energy: -80.733
tors. eta vs tors. theta energy: -139.628
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: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1642.847075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.847075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.847075 (E_RNA)
where:
Base-Base interactions energy: -1085.698
where: short stacking energy: -484.061
Base-Backbone interact. energy: 0.793
local terms energy: -557.941717
where:
bonds (distance) C4'-P energy: -117.709
bonds (distance) P-C4' energy: -101.674
flat angles C4'-P-C4' energy: -125.414
flat angles P-C4'-P energy: -88.145
tors. eta vs tors. theta energy: -125.000
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: 7, replica: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1374.653973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.653973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.653973 (E_RNA)
where:
Base-Base interactions energy: -866.284
where: short stacking energy: -374.790
Base-Backbone interact. energy: -1.852
local terms energy: -506.517972
where:
bonds (distance) C4'-P energy: -129.430
bonds (distance) P-C4' energy: -117.150
flat angles C4'-P-C4' energy: -110.612
flat angles P-C4'-P energy: -74.363
tors. eta vs tors. theta energy: -74.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1199.821241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.821241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.821241 (E_RNA)
where:
Base-Base interactions energy: -740.198
where: short stacking energy: -344.025
Base-Backbone interact. energy: -2.138
local terms energy: -457.485023
where:
bonds (distance) C4'-P energy: -108.919
bonds (distance) P-C4' energy: -123.725
flat angles C4'-P-C4' energy: -113.653
flat angles P-C4'-P energy: -67.536
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1014.194474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.194474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.194474 (E_RNA)
where:
Base-Base interactions energy: -583.490
where: short stacking energy: -277.985
Base-Backbone interact. energy: -1.661
local terms energy: -429.043449
where:
bonds (distance) C4'-P energy: -99.646
bonds (distance) P-C4' energy: -120.001
flat angles C4'-P-C4' energy: -101.531
flat angles P-C4'-P energy: -59.029
tors. eta vs tors. theta energy: -48.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -793.629250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.629250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.629250 (E_RNA)
where:
Base-Base interactions energy: -401.232
where: short stacking energy: -221.019
Base-Backbone interact. energy: -0.324
local terms energy: -392.073535
where:
bonds (distance) C4'-P energy: -106.013
bonds (distance) P-C4' energy: -108.408
flat angles C4'-P-C4' energy: -105.099
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -27.343
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: 210
Temperature: 0.900000
Total energy: -2253.313678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.313678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.313678 (E_RNA)
where:
Base-Base interactions energy: -1547.344
where: short stacking energy: -686.894
Base-Backbone interact. energy: 0.315
local terms energy: -706.284478
where:
bonds (distance) C4'-P energy: -128.104
bonds (distance) P-C4' energy: -123.844
flat angles C4'-P-C4' energy: -158.260
flat angles P-C4'-P energy: -97.555
tors. eta vs tors. theta energy: -198.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2194.377097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.377097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.377097 (E_RNA)
where:
Base-Base interactions energy: -1483.867
where: short stacking energy: -682.147
Base-Backbone interact. energy: -0.822
local terms energy: -709.687979
where:
bonds (distance) C4'-P energy: -120.484
bonds (distance) P-C4' energy: -131.552
flat angles C4'-P-C4' energy: -153.774
flat angles P-C4'-P energy: -106.116
tors. eta vs tors. theta energy: -197.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2123.661882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.661882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.661882 (E_RNA)
where:
Base-Base interactions energy: -1451.624
where: short stacking energy: -580.667
Base-Backbone interact. energy: -1.209
local terms energy: -670.828781
where:
bonds (distance) C4'-P energy: -134.861
bonds (distance) P-C4' energy: -122.581
flat angles C4'-P-C4' energy: -151.363
flat angles P-C4'-P energy: -93.219
tors. eta vs tors. theta energy: -168.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1920.489892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.489892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.489892 (E_RNA)
where:
Base-Base interactions energy: -1306.721
where: short stacking energy: -572.249
Base-Backbone interact. energy: -6.753
local terms energy: -607.015813
where:
bonds (distance) C4'-P energy: -129.347
bonds (distance) P-C4' energy: -123.714
flat angles C4'-P-C4' energy: -135.024
flat angles P-C4'-P energy: -77.531
tors. eta vs tors. theta energy: -141.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1766.103618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.103618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.103618 (E_RNA)
where:
Base-Base interactions energy: -1199.263
where: short stacking energy: -532.802
Base-Backbone interact. energy: 1.367
local terms energy: -568.207572
where:
bonds (distance) C4'-P energy: -109.347
bonds (distance) P-C4' energy: -127.287
flat angles C4'-P-C4' energy: -129.425
flat angles P-C4'-P energy: -81.721
tors. eta vs tors. theta energy: -120.427
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: 210
Temperature: 1.150000
Total energy: -1685.526755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.526755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.526755 (E_RNA)
where:
Base-Base interactions energy: -1081.507
where: short stacking energy: -476.184
Base-Backbone interact. energy: -2.412
local terms energy: -601.608308
where:
bonds (distance) C4'-P energy: -124.395
bonds (distance) P-C4' energy: -136.058
flat angles C4'-P-C4' energy: -122.300
flat angles P-C4'-P energy: -85.240
tors. eta vs tors. theta energy: -133.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1413.970705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.970705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.970705 (E_RNA)
where:
Base-Base interactions energy: -891.083
where: short stacking energy: -391.781
Base-Backbone interact. energy: -3.124
local terms energy: -519.763788
where:
bonds (distance) C4'-P energy: -117.655
bonds (distance) P-C4' energy: -112.325
flat angles C4'-P-C4' energy: -121.692
flat angles P-C4'-P energy: -83.863
tors. eta vs tors. theta energy: -84.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1213.354201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.354201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.354201 (E_RNA)
where:
Base-Base interactions energy: -750.392
where: short stacking energy: -372.145
Base-Backbone interact. energy: 2.878
local terms energy: -465.840096
where:
bonds (distance) C4'-P energy: -115.054
bonds (distance) P-C4' energy: -128.244
flat angles C4'-P-C4' energy: -105.150
flat angles P-C4'-P energy: -49.003
tors. eta vs tors. theta energy: -68.389
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: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -968.512824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.512824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.512824 (E_RNA)
where:
Base-Base interactions energy: -560.506
where: short stacking energy: -286.073
Base-Backbone interact. energy: 1.442
local terms energy: -409.448269
where:
bonds (distance) C4'-P energy: -91.829
bonds (distance) P-C4' energy: -116.158
flat angles C4'-P-C4' energy: -94.854
flat angles P-C4'-P energy: -74.056
tors. eta vs tors. theta energy: -32.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -760.949683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.949683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.949683 (E_RNA)
where:
Base-Base interactions energy: -390.567
where: short stacking energy: -229.591
Base-Backbone interact. energy: 0.548
local terms energy: -370.930554
where:
bonds (distance) C4'-P energy: -108.396
bonds (distance) P-C4' energy: -110.326
flat angles C4'-P-C4' energy: -77.903
flat angles P-C4'-P energy: -58.760
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2276.621913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.621913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.621913 (E_RNA)
where:
Base-Base interactions energy: -1556.536
where: short stacking energy: -661.648
Base-Backbone interact. energy: 0.991
local terms energy: -721.077434
where:
bonds (distance) C4'-P energy: -131.438
bonds (distance) P-C4' energy: -130.491
flat angles C4'-P-C4' energy: -159.763
flat angles P-C4'-P energy: -101.664
tors. eta vs tors. theta energy: -197.723
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: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2197.166234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.166234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.166234 (E_RNA)
where:
Base-Base interactions energy: -1478.531
where: short stacking energy: -650.909
Base-Backbone interact. energy: -0.681
local terms energy: -717.953955
where:
bonds (distance) C4'-P energy: -131.361
bonds (distance) P-C4' energy: -143.304
flat angles C4'-P-C4' energy: -148.340
flat angles P-C4'-P energy: -101.660
tors. eta vs tors. theta energy: -193.290
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: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2104.474731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.474731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.474731 (E_RNA)
where:
Base-Base interactions energy: -1475.946
where: short stacking energy: -620.417
Base-Backbone interact. energy: -4.504
local terms energy: -624.024584
where:
bonds (distance) C4'-P energy: -121.701
bonds (distance) P-C4' energy: -130.174
flat angles C4'-P-C4' energy: -139.325
flat angles P-C4'-P energy: -79.410
tors. eta vs tors. theta energy: -153.414
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: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1879.979433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.979433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.979433 (E_RNA)
where:
Base-Base interactions energy: -1258.045
where: short stacking energy: -565.493
Base-Backbone interact. energy: -0.731
local terms energy: -621.203184
where:
bonds (distance) C4'-P energy: -115.350
bonds (distance) P-C4' energy: -123.157
flat angles C4'-P-C4' energy: -147.610
flat angles P-C4'-P energy: -90.673
tors. eta vs tors. theta energy: -144.413
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: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1783.496156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.496156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.496156 (E_RNA)
where:
Base-Base interactions energy: -1156.762
where: short stacking energy: -503.205
Base-Backbone interact. energy: 2.862
local terms energy: -629.595627
where:
bonds (distance) C4'-P energy: -132.188
bonds (distance) P-C4' energy: -129.223
flat angles C4'-P-C4' energy: -136.691
flat angles P-C4'-P energy: -86.943
tors. eta vs tors. theta energy: -144.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1641.811196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.811196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.811196 (E_RNA)
where:
Base-Base interactions energy: -1090.186
where: short stacking energy: -480.047
Base-Backbone interact. energy: -1.131
local terms energy: -550.494468
where:
bonds (distance) C4'-P energy: -120.036
bonds (distance) P-C4' energy: -105.271
flat angles C4'-P-C4' energy: -128.208
flat angles P-C4'-P energy: -79.212
tors. eta vs tors. theta energy: -117.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1387.562304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.562304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.562304 (E_RNA)
where:
Base-Base interactions energy: -897.651
where: short stacking energy: -405.987
Base-Backbone interact. energy: -1.351
local terms energy: -488.560555
where:
bonds (distance) C4'-P energy: -102.012
bonds (distance) P-C4' energy: -119.833
flat angles C4'-P-C4' energy: -111.091
flat angles P-C4'-P energy: -79.089
tors. eta vs tors. theta energy: -76.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1196.890823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.890823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.890823 (E_RNA)
where:
Base-Base interactions energy: -712.883
where: short stacking energy: -317.336
Base-Backbone interact. energy: 1.332
local terms energy: -485.340232
where:
bonds (distance) C4'-P energy: -102.242
bonds (distance) P-C4' energy: -124.475
flat angles C4'-P-C4' energy: -116.736
flat angles P-C4'-P energy: -70.054
tors. eta vs tors. theta energy: -71.834
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: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -942.616536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.616536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.616536 (E_RNA)
where:
Base-Base interactions energy: -528.758
where: short stacking energy: -259.825
Base-Backbone interact. energy: 2.969
local terms energy: -416.826857
where:
bonds (distance) C4'-P energy: -104.972
bonds (distance) P-C4' energy: -122.615
flat angles C4'-P-C4' energy: -91.562
flat angles P-C4'-P energy: -61.656
tors. eta vs tors. theta energy: -36.021
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: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -718.419620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.419620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.419620 (E_RNA)
where:
Base-Base interactions energy: -363.973
where: short stacking energy: -215.691
Base-Backbone interact. energy: -0.625
local terms energy: -353.822076
where:
bonds (distance) C4'-P energy: -95.798
bonds (distance) P-C4' energy: -119.633
flat angles C4'-P-C4' energy: -87.019
flat angles P-C4'-P energy: -55.920
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: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2264.498998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.498998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.498998 (E_RNA)
where:
Base-Base interactions energy: -1533.776
where: short stacking energy: -659.125
Base-Backbone interact. energy: -0.223
local terms energy: -730.500353
where:
bonds (distance) C4'-P energy: -144.079
bonds (distance) P-C4' energy: -131.653
flat angles C4'-P-C4' energy: -155.832
flat angles P-C4'-P energy: -97.451
tors. eta vs tors. theta energy: -201.485
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: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2185.120988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.120988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.120988 (E_RNA)
where:
Base-Base interactions energy: -1481.574
where: short stacking energy: -643.018
Base-Backbone interact. energy: 0.823
local terms energy: -704.370446
where:
bonds (distance) C4'-P energy: -137.297
bonds (distance) P-C4' energy: -131.466
flat angles C4'-P-C4' energy: -152.729
flat angles P-C4'-P energy: -94.772
tors. eta vs tors. theta energy: -188.106
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: 7
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2146.933657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.933657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.933657 (E_RNA)
where:
Base-Base interactions energy: -1493.809
where: short stacking energy: -602.337
Base-Backbone interact. energy: 1.610
local terms energy: -654.734247
where:
bonds (distance) C4'-P energy: -115.923
bonds (distance) P-C4' energy: -121.008
flat angles C4'-P-C4' energy: -137.409
flat angles P-C4'-P energy: -105.958
tors. eta vs tors. theta energy: -174.436
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: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1917.517190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.517190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.517190 (E_RNA)
where:
Base-Base interactions energy: -1267.603
where: short stacking energy: -560.364
Base-Backbone interact. energy: -0.740
local terms energy: -649.174359
where:
bonds (distance) C4'-P energy: -116.370
bonds (distance) P-C4' energy: -137.158
flat angles C4'-P-C4' energy: -139.619
flat angles P-C4'-P energy: -83.713
tors. eta vs tors. theta energy: -172.315
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: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1807.428581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.428581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.428581 (E_RNA)
where:
Base-Base interactions energy: -1243.305
where: short stacking energy: -511.100
Base-Backbone interact. energy: -0.705
local terms energy: -563.419006
where:
bonds (distance) C4'-P energy: -83.879
bonds (distance) P-C4' energy: -119.210
flat angles C4'-P-C4' energy: -133.962
flat angles P-C4'-P energy: -90.216
tors. eta vs tors. theta energy: -136.151
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: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1645.880146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.880146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.880146 (E_RNA)
where:
Base-Base interactions energy: -1074.539
where: short stacking energy: -464.736
Base-Backbone interact. energy: -1.677
local terms energy: -569.663521
where:
bonds (distance) C4'-P energy: -126.711
bonds (distance) P-C4' energy: -123.723
flat angles C4'-P-C4' energy: -121.750
flat angles P-C4'-P energy: -92.720
tors. eta vs tors. theta energy: -104.759
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: 7, replica: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1422.694725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.694725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.694725 (E_RNA)
where:
Base-Base interactions energy: -903.914
where: short stacking energy: -417.218
Base-Backbone interact. energy: 2.939
local terms energy: -521.718899
where:
bonds (distance) C4'-P energy: -109.855
bonds (distance) P-C4' energy: -129.863
flat angles C4'-P-C4' energy: -119.327
flat angles P-C4'-P energy: -74.138
tors. eta vs tors. theta energy: -88.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1237.864450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.864450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.864450 (E_RNA)
where:
Base-Base interactions energy: -774.792
where: short stacking energy: -352.503
Base-Backbone interact. energy: -0.211
local terms energy: -462.861316
where:
bonds (distance) C4'-P energy: -110.863
bonds (distance) P-C4' energy: -105.967
flat angles C4'-P-C4' energy: -109.468
flat angles P-C4'-P energy: -59.785
tors. eta vs tors. theta energy: -76.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1005.662394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.662394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.662394 (E_RNA)
where:
Base-Base interactions energy: -596.103
where: short stacking energy: -295.349
Base-Backbone interact. energy: 3.806
local terms energy: -413.365423
where:
bonds (distance) C4'-P energy: -82.842
bonds (distance) P-C4' energy: -114.043
flat angles C4'-P-C4' energy: -105.688
flat angles P-C4'-P energy: -79.142
tors. eta vs tors. theta energy: -31.651
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: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -722.270940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.270940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.270940 (E_RNA)
where:
Base-Base interactions energy: -334.769
where: short stacking energy: -187.083
Base-Backbone interact. energy: 1.118
local terms energy: -388.620546
where:
bonds (distance) C4'-P energy: -125.468
bonds (distance) P-C4' energy: -116.413
flat angles C4'-P-C4' energy: -93.053
flat angles P-C4'-P energy: -54.147
tors. eta vs tors. theta energy: 0.460
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: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2273.003131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.003131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.003131 (E_RNA)
where:
Base-Base interactions energy: -1528.994
where: short stacking energy: -641.385
Base-Backbone interact. energy: 1.768
local terms energy: -745.777052
where:
bonds (distance) C4'-P energy: -133.905
bonds (distance) P-C4' energy: -148.832
flat angles C4'-P-C4' energy: -158.532
flat angles P-C4'-P energy: -97.130
tors. eta vs tors. theta energy: -207.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2197.235676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.235676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.235676 (E_RNA)
where:
Base-Base interactions energy: -1497.591
where: short stacking energy: -663.339
Base-Backbone interact. energy: 1.542
local terms energy: -701.185999
where:
bonds (distance) C4'-P energy: -133.939
bonds (distance) P-C4' energy: -125.567
flat angles C4'-P-C4' energy: -156.339
flat angles P-C4'-P energy: -99.360
tors. eta vs tors. theta energy: -185.980
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: 213
Temperature: 1.000000
Total energy: -2144.124766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.124766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.124766 (E_RNA)
where:
Base-Base interactions energy: -1500.480
where: short stacking energy: -644.218
Base-Backbone interact. energy: 0.242
local terms energy: -643.887286
where:
bonds (distance) C4'-P energy: -117.310
bonds (distance) P-C4' energy: -121.578
flat angles C4'-P-C4' energy: -147.155
flat angles P-C4'-P energy: -80.118
tors. eta vs tors. theta energy: -177.727
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: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1909.139646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.139646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.139646 (E_RNA)
where:
Base-Base interactions energy: -1281.210
where: short stacking energy: -573.089
Base-Backbone interact. energy: -3.564
local terms energy: -624.365091
where:
bonds (distance) C4'-P energy: -117.135
bonds (distance) P-C4' energy: -133.935
flat angles C4'-P-C4' energy: -135.550
flat angles P-C4'-P energy: -78.226
tors. eta vs tors. theta energy: -159.519
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: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1832.332341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.332341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.332341 (E_RNA)
where:
Base-Base interactions energy: -1229.868
where: short stacking energy: -535.180
Base-Backbone interact. energy: -2.216
local terms energy: -600.248209
where:
bonds (distance) C4'-P energy: -104.435
bonds (distance) P-C4' energy: -120.210
flat angles C4'-P-C4' energy: -132.881
flat angles P-C4'-P energy: -92.164
tors. eta vs tors. theta energy: -150.559
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: 213
Temperature: 1.150000
Total energy: -1616.626428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.626428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.626428 (E_RNA)
where:
Base-Base interactions energy: -1061.300
where: short stacking energy: -474.091
Base-Backbone interact. energy: -1.894
local terms energy: -553.432854
where:
bonds (distance) C4'-P energy: -105.814
bonds (distance) P-C4' energy: -125.492
flat angles C4'-P-C4' energy: -117.212
flat angles P-C4'-P energy: -91.604
tors. eta vs tors. theta energy: -113.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1429.971218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.971218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.971218 (E_RNA)
where:
Base-Base interactions energy: -939.456
where: short stacking energy: -425.306
Base-Backbone interact. energy: 2.660
local terms energy: -493.174825
where:
bonds (distance) C4'-P energy: -110.169
bonds (distance) P-C4' energy: -97.692
flat angles C4'-P-C4' energy: -113.182
flat angles P-C4'-P energy: -69.301
tors. eta vs tors. theta energy: -102.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1253.648018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.648018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.648018 (E_RNA)
where:
Base-Base interactions energy: -775.945
where: short stacking energy: -367.763
Base-Backbone interact. energy: -0.410
local terms energy: -477.292655
where:
bonds (distance) C4'-P energy: -99.107
bonds (distance) P-C4' energy: -122.187
flat angles C4'-P-C4' energy: -108.944
flat angles P-C4'-P energy: -82.739
tors. eta vs tors. theta energy: -64.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1002.938735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.938735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.938735 (E_RNA)
where:
Base-Base interactions energy: -592.570
where: short stacking energy: -273.673
Base-Backbone interact. energy: -0.065
local terms energy: -410.304552
where:
bonds (distance) C4'-P energy: -111.966
bonds (distance) P-C4' energy: -126.620
flat angles C4'-P-C4' energy: -84.017
flat angles P-C4'-P energy: -61.126
tors. eta vs tors. theta energy: -26.575
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: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -734.104532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.104532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.104532 (E_RNA)
where:
Base-Base interactions energy: -370.510
where: short stacking energy: -196.412
Base-Backbone interact. energy: 0.505
local terms energy: -364.099706
where:
bonds (distance) C4'-P energy: -97.775
bonds (distance) P-C4' energy: -110.747
flat angles C4'-P-C4' energy: -79.736
flat angles P-C4'-P energy: -72.729
tors. eta vs tors. theta energy: -3.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2277.415876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.415876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.415876 (E_RNA)
where:
Base-Base interactions energy: -1568.607
where: short stacking energy: -682.819
Base-Backbone interact. energy: 1.023
local terms energy: -709.832000
where:
bonds (distance) C4'-P energy: -128.401
bonds (distance) P-C4' energy: -125.428
flat angles C4'-P-C4' energy: -155.725
flat angles P-C4'-P energy: -98.325
tors. eta vs tors. theta energy: -201.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2200.913830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.913830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.913830 (E_RNA)
where:
Base-Base interactions energy: -1482.474
where: short stacking energy: -666.948
Base-Backbone interact. energy: 0.066
local terms energy: -718.506074
where:
bonds (distance) C4'-P energy: -132.406
bonds (distance) P-C4' energy: -143.624
flat angles C4'-P-C4' energy: -148.185
flat angles P-C4'-P energy: -103.399
tors. eta vs tors. theta energy: -190.893
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: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2129.556955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.556955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.556955 (E_RNA)
where:
Base-Base interactions energy: -1478.611
where: short stacking energy: -630.325
Base-Backbone interact. energy: -0.202
local terms energy: -650.743580
where:
bonds (distance) C4'-P energy: -113.546
bonds (distance) P-C4' energy: -127.934
flat angles C4'-P-C4' energy: -140.274
flat angles P-C4'-P energy: -90.841
tors. eta vs tors. theta energy: -178.149
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: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1916.449675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.449675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.449675 (E_RNA)
where:
Base-Base interactions energy: -1278.799
where: short stacking energy: -569.993
Base-Backbone interact. energy: -3.528
local terms energy: -634.123075
where:
bonds (distance) C4'-P energy: -110.751
bonds (distance) P-C4' energy: -123.181
flat angles C4'-P-C4' energy: -145.859
flat angles P-C4'-P energy: -92.247
tors. eta vs tors. theta energy: -162.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1823.115657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.115657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.115657 (E_RNA)
where:
Base-Base interactions energy: -1228.490
where: short stacking energy: -541.584
Base-Backbone interact. energy: -2.835
local terms energy: -591.790871
where:
bonds (distance) C4'-P energy: -127.019
bonds (distance) P-C4' energy: -122.727
flat angles C4'-P-C4' energy: -119.850
flat angles P-C4'-P energy: -72.470
tors. eta vs tors. theta energy: -149.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1657.361776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.361776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.361776 (E_RNA)
where:
Base-Base interactions energy: -1080.029
where: short stacking energy: -461.560
Base-Backbone interact. energy: 2.898
local terms energy: -580.230798
where:
bonds (distance) C4'-P energy: -113.534
bonds (distance) P-C4' energy: -120.922
flat angles C4'-P-C4' energy: -122.287
flat angles P-C4'-P energy: -91.356
tors. eta vs tors. theta energy: -132.132
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: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1417.567803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.567803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.567803 (E_RNA)
where:
Base-Base interactions energy: -890.201
where: short stacking energy: -390.189
Base-Backbone interact. energy: -2.325
local terms energy: -525.041953
where:
bonds (distance) C4'-P energy: -137.130
bonds (distance) P-C4' energy: -106.010
flat angles C4'-P-C4' energy: -126.386
flat angles P-C4'-P energy: -60.432
tors. eta vs tors. theta energy: -95.083
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: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1287.781188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.781188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.781188 (E_RNA)
where:
Base-Base interactions energy: -806.513
where: short stacking energy: -342.396
Base-Backbone interact. energy: -0.374
local terms energy: -480.893903
where:
bonds (distance) C4'-P energy: -110.405
bonds (distance) P-C4' energy: -106.040
flat angles C4'-P-C4' energy: -119.638
flat angles P-C4'-P energy: -73.219
tors. eta vs tors. theta energy: -71.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1022.628010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.628010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.628010 (E_RNA)
where:
Base-Base interactions energy: -596.252
where: short stacking energy: -306.553
Base-Backbone interact. energy: 1.793
local terms energy: -428.169357
where:
bonds (distance) C4'-P energy: -123.962
bonds (distance) P-C4' energy: -109.473
flat angles C4'-P-C4' energy: -95.255
flat angles P-C4'-P energy: -60.494
tors. eta vs tors. theta energy: -38.985
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: 214
Temperature: 1.350000
Total energy: -743.834478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.834478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.834478 (E_RNA)
where:
Base-Base interactions energy: -367.529
where: short stacking energy: -220.251
Base-Backbone interact. energy: -0.661
local terms energy: -375.643961
where:
bonds (distance) C4'-P energy: -105.692
bonds (distance) P-C4' energy: -115.595
flat angles C4'-P-C4' energy: -98.020
flat angles P-C4'-P energy: -47.010
tors. eta vs tors. theta energy: -9.326
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: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2262.378615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.378615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.378615 (E_RNA)
where:
Base-Base interactions energy: -1538.759
where: short stacking energy: -665.375
Base-Backbone interact. energy: -1.984
local terms energy: -721.636207
where:
bonds (distance) C4'-P energy: -136.869
bonds (distance) P-C4' energy: -134.473
flat angles C4'-P-C4' energy: -148.237
flat angles P-C4'-P energy: -102.117
tors. eta vs tors. theta energy: -199.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2192.604326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.604326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.604326 (E_RNA)
where:
Base-Base interactions energy: -1498.702
where: short stacking energy: -637.827
Base-Backbone interact. energy: -1.688
local terms energy: -692.213987
where:
bonds (distance) C4'-P energy: -115.586
bonds (distance) P-C4' energy: -129.419
flat angles C4'-P-C4' energy: -145.570
flat angles P-C4'-P energy: -111.230
tors. eta vs tors. theta energy: -190.409
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: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2109.305486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.305486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.305486 (E_RNA)
where:
Base-Base interactions energy: -1473.663
where: short stacking energy: -624.257
Base-Backbone interact. energy: 1.038
local terms energy: -636.680237
where:
bonds (distance) C4'-P energy: -123.510
bonds (distance) P-C4' energy: -129.052
flat angles C4'-P-C4' energy: -128.533
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -176.254
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: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1878.796447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.796447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.796447 (E_RNA)
where:
Base-Base interactions energy: -1270.772
where: short stacking energy: -558.190
Base-Backbone interact. energy: -0.957
local terms energy: -607.067061
where:
bonds (distance) C4'-P energy: -129.041
bonds (distance) P-C4' energy: -106.257
flat angles C4'-P-C4' energy: -140.858
flat angles P-C4'-P energy: -76.079
tors. eta vs tors. theta energy: -154.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1790.933427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.933427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.933427 (E_RNA)
where:
Base-Base interactions energy: -1199.049
where: short stacking energy: -526.911
Base-Backbone interact. energy: -2.748
local terms energy: -589.136160
where:
bonds (distance) C4'-P energy: -124.699
bonds (distance) P-C4' energy: -124.288
flat angles C4'-P-C4' energy: -126.236
flat angles P-C4'-P energy: -75.032
tors. eta vs tors. theta energy: -138.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1680.166408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.166408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.166408 (E_RNA)
where:
Base-Base interactions energy: -1127.441
where: short stacking energy: -475.376
Base-Backbone interact. energy: -1.008
local terms energy: -551.716750
where:
bonds (distance) C4'-P energy: -105.810
bonds (distance) P-C4' energy: -122.365
flat angles C4'-P-C4' energy: -124.869
flat angles P-C4'-P energy: -77.986
tors. eta vs tors. theta energy: -120.686
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: 2
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1440.897741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.897741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.897741 (E_RNA)
where:
Base-Base interactions energy: -895.534
where: short stacking energy: -408.899
Base-Backbone interact. energy: -4.895
local terms energy: -540.469109
where:
bonds (distance) C4'-P energy: -109.627
bonds (distance) P-C4' energy: -127.990
flat angles C4'-P-C4' energy: -131.559
flat angles P-C4'-P energy: -81.142
tors. eta vs tors. theta energy: -90.150
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: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1304.379951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.379951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.379951 (E_RNA)
where:
Base-Base interactions energy: -840.566
where: short stacking energy: -368.922
Base-Backbone interact. energy: 1.745
local terms energy: -465.559296
where:
bonds (distance) C4'-P energy: -106.654
bonds (distance) P-C4' energy: -108.590
flat angles C4'-P-C4' energy: -121.645
flat angles P-C4'-P energy: -61.298
tors. eta vs tors. theta energy: -67.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -939.130596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.130596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.130596 (E_RNA)
where:
Base-Base interactions energy: -530.060
where: short stacking energy: -262.378
Base-Backbone interact. energy: -3.210
local terms energy: -405.860183
where:
bonds (distance) C4'-P energy: -104.748
bonds (distance) P-C4' energy: -128.271
flat angles C4'-P-C4' energy: -99.283
flat angles P-C4'-P energy: -57.010
tors. eta vs tors. theta energy: -16.549
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: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -708.178897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.178897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.178897 (E_RNA)
where:
Base-Base interactions energy: -353.429
where: short stacking energy: -175.464
Base-Backbone interact. energy: 4.080
local terms energy: -358.829597
where:
bonds (distance) C4'-P energy: -118.841
bonds (distance) P-C4' energy: -100.336
flat angles C4'-P-C4' energy: -98.724
flat angles P-C4'-P energy: -49.692
tors. eta vs tors. theta energy: 8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2283.126494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.126494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.126494 (E_RNA)
where:
Base-Base interactions energy: -1555.806
where: short stacking energy: -659.973
Base-Backbone interact. energy: -2.581
local terms energy: -724.739913
where:
bonds (distance) C4'-P energy: -116.649
bonds (distance) P-C4' energy: -136.072
flat angles C4'-P-C4' energy: -164.987
flat angles P-C4'-P energy: -99.686
tors. eta vs tors. theta energy: -207.346
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: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2201.461518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.461518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.461518 (E_RNA)
where:
Base-Base interactions energy: -1511.363
where: short stacking energy: -673.616
Base-Backbone interact. energy: -1.139
local terms energy: -688.959353
where:
bonds (distance) C4'-P energy: -112.897
bonds (distance) P-C4' energy: -136.976
flat angles C4'-P-C4' energy: -149.127
flat angles P-C4'-P energy: -98.712
tors. eta vs tors. theta energy: -191.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2141.225516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.225516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.225516 (E_RNA)
where:
Base-Base interactions energy: -1476.376
where: short stacking energy: -624.756
Base-Backbone interact. energy: -2.388
local terms energy: -662.461531
where:
bonds (distance) C4'-P energy: -130.654
bonds (distance) P-C4' energy: -107.535
flat angles C4'-P-C4' energy: -154.104
flat angles P-C4'-P energy: -94.402
tors. eta vs tors. theta energy: -175.767
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: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1852.769959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.769959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.769959 (E_RNA)
where:
Base-Base interactions energy: -1253.231
where: short stacking energy: -542.941
Base-Backbone interact. energy: 2.378
local terms energy: -601.916786
where:
bonds (distance) C4'-P energy: -128.336
bonds (distance) P-C4' energy: -112.266
flat angles C4'-P-C4' energy: -137.274
flat angles P-C4'-P energy: -80.457
tors. eta vs tors. theta energy: -143.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1776.089676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.089676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.089676 (E_RNA)
where:
Base-Base interactions energy: -1173.578
where: short stacking energy: -547.082
Base-Backbone interact. energy: -1.862
local terms energy: -600.649497
where:
bonds (distance) C4'-P energy: -120.378
bonds (distance) P-C4' energy: -125.156
flat angles C4'-P-C4' energy: -133.613
flat angles P-C4'-P energy: -81.198
tors. eta vs tors. theta energy: -140.305
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: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1667.456223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.456223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.456223 (E_RNA)
where:
Base-Base interactions energy: -1101.496
where: short stacking energy: -495.498
Base-Backbone interact. energy: 2.536
local terms energy: -568.496155
where:
bonds (distance) C4'-P energy: -96.192
bonds (distance) P-C4' energy: -123.342
flat angles C4'-P-C4' energy: -129.951
flat angles P-C4'-P energy: -84.045
tors. eta vs tors. theta energy: -134.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1417.203030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.203030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.203030 (E_RNA)
where:
Base-Base interactions energy: -914.504
where: short stacking energy: -407.574
Base-Backbone interact. energy: -1.359
local terms energy: -501.339925
where:
bonds (distance) C4'-P energy: -123.262
bonds (distance) P-C4' energy: -111.714
flat angles C4'-P-C4' energy: -111.670
flat angles P-C4'-P energy: -72.647
tors. eta vs tors. theta energy: -82.046
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: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1316.448617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.448617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.448617 (E_RNA)
where:
Base-Base interactions energy: -825.571
where: short stacking energy: -379.920
Base-Backbone interact. energy: -2.025
local terms energy: -488.852458
where:
bonds (distance) C4'-P energy: -117.343
bonds (distance) P-C4' energy: -113.698
flat angles C4'-P-C4' energy: -124.326
flat angles P-C4'-P energy: -69.358
tors. eta vs tors. theta energy: -64.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -932.366795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.366795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.366795 (E_RNA)
where:
Base-Base interactions energy: -534.177
where: short stacking energy: -265.676
Base-Backbone interact. energy: 0.293
local terms energy: -398.482575
where:
bonds (distance) C4'-P energy: -94.309
bonds (distance) P-C4' energy: -112.152
flat angles C4'-P-C4' energy: -109.436
flat angles P-C4'-P energy: -55.452
tors. eta vs tors. theta energy: -27.134
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: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -735.106261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.106261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.106261 (E_RNA)
where:
Base-Base interactions energy: -357.262
where: short stacking energy: -188.287
Base-Backbone interact. energy: -2.756
local terms energy: -375.088149
where:
bonds (distance) C4'-P energy: -116.997
bonds (distance) P-C4' energy: -100.125
flat angles C4'-P-C4' energy: -91.092
flat angles P-C4'-P energy: -67.453
tors. eta vs tors. theta energy: 0.579
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: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2316.779699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.779699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.779699 (E_RNA)
where:
Base-Base interactions energy: -1566.460
where: short stacking energy: -694.858
Base-Backbone interact. energy: -2.253
local terms energy: -748.067534
where:
bonds (distance) C4'-P energy: -132.206
bonds (distance) P-C4' energy: -145.434
flat angles C4'-P-C4' energy: -140.126
flat angles P-C4'-P energy: -112.040
tors. eta vs tors. theta energy: -218.263
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: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2157.535611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.535611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.535611 (E_RNA)
where:
Base-Base interactions energy: -1465.817
where: short stacking energy: -635.103
Base-Backbone interact. energy: -1.040
local terms energy: -690.679233
where:
bonds (distance) C4'-P energy: -118.942
bonds (distance) P-C4' energy: -145.803
flat angles C4'-P-C4' energy: -148.627
flat angles P-C4'-P energy: -98.275
tors. eta vs tors. theta energy: -179.033
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: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2130.292051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.292051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.292051 (E_RNA)
where:
Base-Base interactions energy: -1493.892
where: short stacking energy: -625.975
Base-Backbone interact. energy: -2.447
local terms energy: -633.952742
where:
bonds (distance) C4'-P energy: -107.375
bonds (distance) P-C4' energy: -127.026
flat angles C4'-P-C4' energy: -146.942
flat angles P-C4'-P energy: -83.968
tors. eta vs tors. theta energy: -168.642
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: 217
Temperature: 1.050000
Total energy: -1913.814580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.814580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.814580 (E_RNA)
where:
Base-Base interactions energy: -1293.080
where: short stacking energy: -555.464
Base-Backbone interact. energy: 0.909
local terms energy: -621.643610
where:
bonds (distance) C4'-P energy: -122.749
bonds (distance) P-C4' energy: -135.309
flat angles C4'-P-C4' energy: -131.084
flat angles P-C4'-P energy: -81.431
tors. eta vs tors. theta energy: -151.071
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: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1839.583401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.583401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.583401 (E_RNA)
where:
Base-Base interactions energy: -1218.861
where: short stacking energy: -557.695
Base-Backbone interact. energy: -2.896
local terms energy: -617.826408
where:
bonds (distance) C4'-P energy: -101.295
bonds (distance) P-C4' energy: -133.048
flat angles C4'-P-C4' energy: -137.187
flat angles P-C4'-P energy: -92.521
tors. eta vs tors. theta energy: -153.775
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: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1623.159383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.159383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.159383 (E_RNA)
where:
Base-Base interactions energy: -1074.525
where: short stacking energy: -481.887
Base-Backbone interact. energy: -1.595
local terms energy: -547.040051
where:
bonds (distance) C4'-P energy: -114.749
bonds (distance) P-C4' energy: -106.518
flat angles C4'-P-C4' energy: -119.660
flat angles P-C4'-P energy: -76.206
tors. eta vs tors. theta energy: -129.907
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: 217
Temperature: 1.200000
Total energy: -1459.162374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.162374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.162374 (E_RNA)
where:
Base-Base interactions energy: -938.353
where: short stacking energy: -426.027
Base-Backbone interact. energy: 1.917
local terms energy: -522.726087
where:
bonds (distance) C4'-P energy: -110.243
bonds (distance) P-C4' energy: -116.891
flat angles C4'-P-C4' energy: -135.905
flat angles P-C4'-P energy: -71.555
tors. eta vs tors. theta energy: -88.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1315.767047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.767047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.767047 (E_RNA)
where:
Base-Base interactions energy: -855.889
where: short stacking energy: -399.623
Base-Backbone interact. energy: -0.879
local terms energy: -458.998984
where:
bonds (distance) C4'-P energy: -106.640
bonds (distance) P-C4' energy: -100.691
flat angles C4'-P-C4' energy: -112.625
flat angles P-C4'-P energy: -60.880
tors. eta vs tors. theta energy: -78.163
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: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -945.420227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.420227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.420227 (E_RNA)
where:
Base-Base interactions energy: -531.989
where: short stacking energy: -249.806
Base-Backbone interact. energy: -1.516
local terms energy: -411.914660
where:
bonds (distance) C4'-P energy: -103.956
bonds (distance) P-C4' energy: -93.555
flat angles C4'-P-C4' energy: -119.965
flat angles P-C4'-P energy: -58.494
tors. eta vs tors. theta energy: -35.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -732.474882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.474882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.474882 (E_RNA)
where:
Base-Base interactions energy: -382.018
where: short stacking energy: -229.636
Base-Backbone interact. energy: -0.725
local terms energy: -349.732151
where:
bonds (distance) C4'-P energy: -90.403
bonds (distance) P-C4' energy: -98.483
flat angles C4'-P-C4' energy: -108.008
flat angles P-C4'-P energy: -49.376
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2295.218694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.218694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.218694 (E_RNA)
where:
Base-Base interactions energy: -1549.990
where: short stacking energy: -696.176
Base-Backbone interact. energy: -1.603
local terms energy: -743.625316
where:
bonds (distance) C4'-P energy: -124.822
bonds (distance) P-C4' energy: -142.915
flat angles C4'-P-C4' energy: -158.703
flat angles P-C4'-P energy: -101.323
tors. eta vs tors. theta energy: -215.863
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: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2199.258456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.258456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.258456 (E_RNA)
where:
Base-Base interactions energy: -1505.953
where: short stacking energy: -667.434
Base-Backbone interact. energy: -0.940
local terms energy: -692.365975
where:
bonds (distance) C4'-P energy: -125.695
bonds (distance) P-C4' energy: -123.135
flat angles C4'-P-C4' energy: -151.964
flat angles P-C4'-P energy: -97.138
tors. eta vs tors. theta energy: -194.434
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: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2133.446027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.446027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.446027 (E_RNA)
where:
Base-Base interactions energy: -1476.458
where: short stacking energy: -652.960
Base-Backbone interact. energy: 1.079
local terms energy: -658.067227
where:
bonds (distance) C4'-P energy: -117.991
bonds (distance) P-C4' energy: -128.082
flat angles C4'-P-C4' energy: -141.085
flat angles P-C4'-P energy: -86.929
tors. eta vs tors. theta energy: -183.980
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: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1889.472482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.472482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.472482 (E_RNA)
where:
Base-Base interactions energy: -1285.244
where: short stacking energy: -533.906
Base-Backbone interact. energy: 5.808
local terms energy: -610.036045
where:
bonds (distance) C4'-P energy: -121.081
bonds (distance) P-C4' energy: -114.416
flat angles C4'-P-C4' energy: -131.105
flat angles P-C4'-P energy: -90.503
tors. eta vs tors. theta energy: -152.931
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: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1843.043906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.043906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.043906 (E_RNA)
where:
Base-Base interactions energy: -1203.986
where: short stacking energy: -545.079
Base-Backbone interact. energy: -1.540
local terms energy: -637.517769
where:
bonds (distance) C4'-P energy: -114.826
bonds (distance) P-C4' energy: -139.571
flat angles C4'-P-C4' energy: -142.796
flat angles P-C4'-P energy: -85.451
tors. eta vs tors. theta energy: -154.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1624.129301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.129301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.129301 (E_RNA)
where:
Base-Base interactions energy: -1078.089
where: short stacking energy: -461.149
Base-Backbone interact. energy: 0.242
local terms energy: -546.282423
where:
bonds (distance) C4'-P energy: -96.504
bonds (distance) P-C4' energy: -135.532
flat angles C4'-P-C4' energy: -124.535
flat angles P-C4'-P energy: -69.125
tors. eta vs tors. theta energy: -120.587
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: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1429.611192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.611192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.611192 (E_RNA)
where:
Base-Base interactions energy: -907.120
where: short stacking energy: -404.717
Base-Backbone interact. energy: 0.938
local terms energy: -523.429408
where:
bonds (distance) C4'-P energy: -108.851
bonds (distance) P-C4' energy: -123.683
flat angles C4'-P-C4' energy: -119.394
flat angles P-C4'-P energy: -84.298
tors. eta vs tors. theta energy: -87.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1254.927622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.927622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.927622 (E_RNA)
where:
Base-Base interactions energy: -764.413
where: short stacking energy: -352.938
Base-Backbone interact. energy: 5.359
local terms energy: -495.873829
where:
bonds (distance) C4'-P energy: -110.086
bonds (distance) P-C4' energy: -116.293
flat angles C4'-P-C4' energy: -107.648
flat angles P-C4'-P energy: -78.489
tors. eta vs tors. theta energy: -83.357
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: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -888.372633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.372633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.372633 (E_RNA)
where:
Base-Base interactions energy: -506.627
where: short stacking energy: -255.085
Base-Backbone interact. energy: 0.856
local terms energy: -382.601760
where:
bonds (distance) C4'-P energy: -119.252
bonds (distance) P-C4' energy: -109.524
flat angles C4'-P-C4' energy: -102.347
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -741.084453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.084453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.084453 (E_RNA)
where:
Base-Base interactions energy: -367.232
where: short stacking energy: -218.142
Base-Backbone interact. energy: -1.224
local terms energy: -372.628752
where:
bonds (distance) C4'-P energy: -93.590
bonds (distance) P-C4' energy: -121.498
flat angles C4'-P-C4' energy: -90.095
flat angles P-C4'-P energy: -55.535
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2286.225616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.225616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.225616 (E_RNA)
where:
Base-Base interactions energy: -1545.182
where: short stacking energy: -696.902
Base-Backbone interact. energy: -0.437
local terms energy: -740.606462
where:
bonds (distance) C4'-P energy: -121.652
bonds (distance) P-C4' energy: -138.294
flat angles C4'-P-C4' energy: -162.267
flat angles P-C4'-P energy: -99.139
tors. eta vs tors. theta energy: -219.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2209.867866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.867866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.867866 (E_RNA)
where:
Base-Base interactions energy: -1488.720
where: short stacking energy: -683.203
Base-Backbone interact. energy: -0.246
local terms energy: -720.901413
where:
bonds (distance) C4'-P energy: -130.715
bonds (distance) P-C4' energy: -130.860
flat angles C4'-P-C4' energy: -152.150
flat angles P-C4'-P energy: -101.459
tors. eta vs tors. theta energy: -205.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2117.008625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.008625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.008625 (E_RNA)
where:
Base-Base interactions energy: -1447.461
where: short stacking energy: -608.778
Base-Backbone interact. energy: -1.273
local terms energy: -668.274685
where:
bonds (distance) C4'-P energy: -131.992
bonds (distance) P-C4' energy: -130.628
flat angles C4'-P-C4' energy: -137.362
flat angles P-C4'-P energy: -95.839
tors. eta vs tors. theta energy: -172.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1878.823905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.823905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.823905 (E_RNA)
where:
Base-Base interactions energy: -1286.929
where: short stacking energy: -538.247
Base-Backbone interact. energy: -3.129
local terms energy: -588.766355
where:
bonds (distance) C4'-P energy: -113.431
bonds (distance) P-C4' energy: -121.293
flat angles C4'-P-C4' energy: -114.564
flat angles P-C4'-P energy: -89.576
tors. eta vs tors. theta energy: -149.902
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: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1778.378548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.378548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.378548 (E_RNA)
where:
Base-Base interactions energy: -1165.665
where: short stacking energy: -535.889
Base-Backbone interact. energy: -3.582
local terms energy: -609.131777
where:
bonds (distance) C4'-P energy: -119.120
bonds (distance) P-C4' energy: -118.038
flat angles C4'-P-C4' energy: -125.817
flat angles P-C4'-P energy: -86.562
tors. eta vs tors. theta energy: -159.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1612.235979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.235979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.235979 (E_RNA)
where:
Base-Base interactions energy: -1052.951
where: short stacking energy: -459.983
Base-Backbone interact. energy: 0.990
local terms energy: -560.274318
where:
bonds (distance) C4'-P energy: -127.194
bonds (distance) P-C4' energy: -117.610
flat angles C4'-P-C4' energy: -123.578
flat angles P-C4'-P energy: -88.263
tors. eta vs tors. theta energy: -103.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1451.113897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.113897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.113897 (E_RNA)
where:
Base-Base interactions energy: -954.014
where: short stacking energy: -441.043
Base-Backbone interact. energy: 0.779
local terms energy: -497.878911
where:
bonds (distance) C4'-P energy: -99.624
bonds (distance) P-C4' energy: -116.337
flat angles C4'-P-C4' energy: -105.000
flat angles P-C4'-P energy: -74.872
tors. eta vs tors. theta energy: -102.046
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: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1227.154545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.154545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.154545 (E_RNA)
where:
Base-Base interactions energy: -771.211
where: short stacking energy: -363.446
Base-Backbone interact. energy: -2.351
local terms energy: -453.592808
where:
bonds (distance) C4'-P energy: -101.434
bonds (distance) P-C4' energy: -119.489
flat angles C4'-P-C4' energy: -93.618
flat angles P-C4'-P energy: -77.095
tors. eta vs tors. theta energy: -61.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -907.759832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.759832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.759832 (E_RNA)
where:
Base-Base interactions energy: -518.459
where: short stacking energy: -261.303
Base-Backbone interact. energy: -3.303
local terms energy: -385.998190
where:
bonds (distance) C4'-P energy: -89.821
bonds (distance) P-C4' energy: -113.372
flat angles C4'-P-C4' energy: -100.093
flat angles P-C4'-P energy: -53.276
tors. eta vs tors. theta energy: -29.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -722.403551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.403551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.403551 (E_RNA)
where:
Base-Base interactions energy: -344.142
where: short stacking energy: -178.793
Base-Backbone interact. energy: 0.639
local terms energy: -378.900436
where:
bonds (distance) C4'-P energy: -100.763
bonds (distance) P-C4' energy: -119.667
flat angles C4'-P-C4' energy: -97.440
flat angles P-C4'-P energy: -59.349
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: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2274.473563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.473563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.473563 (E_RNA)
where:
Base-Base interactions energy: -1543.677
where: short stacking energy: -687.637
Base-Backbone interact. energy: 0.668
local terms energy: -731.465381
where:
bonds (distance) C4'-P energy: -133.023
bonds (distance) P-C4' energy: -126.498
flat angles C4'-P-C4' energy: -164.227
flat angles P-C4'-P energy: -107.686
tors. eta vs tors. theta energy: -200.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2202.306999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.306999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.306999 (E_RNA)
where:
Base-Base interactions energy: -1483.911
where: short stacking energy: -684.695
Base-Backbone interact. energy: -0.138
local terms energy: -718.257718
where:
bonds (distance) C4'-P energy: -119.153
bonds (distance) P-C4' energy: -132.278
flat angles C4'-P-C4' energy: -159.077
flat angles P-C4'-P energy: -108.795
tors. eta vs tors. theta energy: -198.954
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: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2134.977084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.977084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.977084 (E_RNA)
where:
Base-Base interactions energy: -1480.852
where: short stacking energy: -620.832
Base-Backbone interact. energy: -2.522
local terms energy: -651.602814
where:
bonds (distance) C4'-P energy: -130.117
bonds (distance) P-C4' energy: -119.013
flat angles C4'-P-C4' energy: -143.029
flat angles P-C4'-P energy: -91.454
tors. eta vs tors. theta energy: -167.991
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: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1897.471384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.471384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.471384 (E_RNA)
where:
Base-Base interactions energy: -1277.783
where: short stacking energy: -547.255
Base-Backbone interact. energy: 2.863
local terms energy: -622.551300
where:
bonds (distance) C4'-P energy: -124.324
bonds (distance) P-C4' energy: -118.535
flat angles C4'-P-C4' energy: -137.973
flat angles P-C4'-P energy: -95.854
tors. eta vs tors. theta energy: -145.866
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: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1763.385714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.385714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.385714 (E_RNA)
where:
Base-Base interactions energy: -1170.448
where: short stacking energy: -534.357
Base-Backbone interact. energy: 0.016
local terms energy: -592.954551
where:
bonds (distance) C4'-P energy: -113.024
bonds (distance) P-C4' energy: -128.680
flat angles C4'-P-C4' energy: -130.547
flat angles P-C4'-P energy: -75.184
tors. eta vs tors. theta energy: -145.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1614.000800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.000800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.000800 (E_RNA)
where:
Base-Base interactions energy: -1076.751
where: short stacking energy: -483.158
Base-Backbone interact. energy: -1.775
local terms energy: -535.474956
where:
bonds (distance) C4'-P energy: -109.280
bonds (distance) P-C4' energy: -125.048
flat angles C4'-P-C4' energy: -106.110
flat angles P-C4'-P energy: -66.969
tors. eta vs tors. theta energy: -128.067
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: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1525.731165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.731165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.731165 (E_RNA)
where:
Base-Base interactions energy: -995.667
where: short stacking energy: -443.580
Base-Backbone interact. energy: 3.831
local terms energy: -533.894879
where:
bonds (distance) C4'-P energy: -108.712
bonds (distance) P-C4' energy: -112.780
flat angles C4'-P-C4' energy: -120.751
flat angles P-C4'-P energy: -74.268
tors. eta vs tors. theta energy: -117.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1287.411650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.411650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.411650 (E_RNA)
where:
Base-Base interactions energy: -808.251
where: short stacking energy: -368.211
Base-Backbone interact. energy: 1.431
local terms energy: -480.592176
where:
bonds (distance) C4'-P energy: -104.466
bonds (distance) P-C4' energy: -113.869
flat angles C4'-P-C4' energy: -110.800
flat angles P-C4'-P energy: -90.919
tors. eta vs tors. theta energy: -60.538
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: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -930.779825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.779825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.779825 (E_RNA)
where:
Base-Base interactions energy: -502.766
where: short stacking energy: -291.915
Base-Backbone interact. energy: 8.394
local terms energy: -436.407065
where:
bonds (distance) C4'-P energy: -132.069
bonds (distance) P-C4' energy: -105.011
flat angles C4'-P-C4' energy: -96.282
flat angles P-C4'-P energy: -65.691
tors. eta vs tors. theta energy: -37.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -744.265883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.265883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.265883 (E_RNA)
where:
Base-Base interactions energy: -398.516
where: short stacking energy: -224.629
Base-Backbone interact. energy: -2.331
local terms energy: -343.418271
where:
bonds (distance) C4'-P energy: -108.227
bonds (distance) P-C4' energy: -93.878
flat angles C4'-P-C4' energy: -82.392
flat angles P-C4'-P energy: -54.801
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2296.271977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.271977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.271977 (E_RNA)
where:
Base-Base interactions energy: -1577.283
where: short stacking energy: -697.265
Base-Backbone interact. energy: 2.365
local terms energy: -721.353221
where:
bonds (distance) C4'-P energy: -133.210
bonds (distance) P-C4' energy: -140.748
flat angles C4'-P-C4' energy: -147.469
flat angles P-C4'-P energy: -99.435
tors. eta vs tors. theta energy: -200.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2178.079082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.079082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.079082 (E_RNA)
where:
Base-Base interactions energy: -1489.375
where: short stacking energy: -642.019
Base-Backbone interact. energy: 0.046
local terms energy: -688.749816
where:
bonds (distance) C4'-P energy: -138.566
bonds (distance) P-C4' energy: -114.344
flat angles C4'-P-C4' energy: -144.588
flat angles P-C4'-P energy: -97.337
tors. eta vs tors. theta energy: -193.915
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: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2151.616124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.616124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.616124 (E_RNA)
where:
Base-Base interactions energy: -1490.044
where: short stacking energy: -631.055
Base-Backbone interact. energy: -1.874
local terms energy: -659.697799
where:
bonds (distance) C4'-P energy: -121.149
bonds (distance) P-C4' energy: -128.936
flat angles C4'-P-C4' energy: -137.880
flat angles P-C4'-P energy: -96.703
tors. eta vs tors. theta energy: -175.030
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: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1933.157968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.157968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.157968 (E_RNA)
where:
Base-Base interactions energy: -1302.157
where: short stacking energy: -551.602
Base-Backbone interact. energy: -3.075
local terms energy: -627.926357
where:
bonds (distance) C4'-P energy: -132.701
bonds (distance) P-C4' energy: -132.445
flat angles C4'-P-C4' energy: -119.743
flat angles P-C4'-P energy: -88.203
tors. eta vs tors. theta energy: -154.834
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: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1807.608362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.608362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.608362 (E_RNA)
where:
Base-Base interactions energy: -1216.683
where: short stacking energy: -529.940
Base-Backbone interact. energy: -2.622
local terms energy: -588.302709
where:
bonds (distance) C4'-P energy: -105.860
bonds (distance) P-C4' energy: -115.954
flat angles C4'-P-C4' energy: -123.082
flat angles P-C4'-P energy: -90.312
tors. eta vs tors. theta energy: -153.095
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: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1599.819885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.819885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.819885 (E_RNA)
where:
Base-Base interactions energy: -1037.756
where: short stacking energy: -450.046
Base-Backbone interact. energy: -5.366
local terms energy: -556.697970
where:
bonds (distance) C4'-P energy: -128.270
bonds (distance) P-C4' energy: -122.229
flat angles C4'-P-C4' energy: -126.896
flat angles P-C4'-P energy: -74.314
tors. eta vs tors. theta energy: -104.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1573.977545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.977545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.977545 (E_RNA)
where:
Base-Base interactions energy: -1028.263
where: short stacking energy: -457.148
Base-Backbone interact. energy: -1.113
local terms energy: -544.602110
where:
bonds (distance) C4'-P energy: -115.897
bonds (distance) P-C4' energy: -111.961
flat angles C4'-P-C4' energy: -111.577
flat angles P-C4'-P energy: -83.169
tors. eta vs tors. theta energy: -121.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1331.132640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.132640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.132640 (E_RNA)
where:
Base-Base interactions energy: -837.534
where: short stacking energy: -379.552
Base-Backbone interact. energy: 1.093
local terms energy: -494.691387
where:
bonds (distance) C4'-P energy: -110.675
bonds (distance) P-C4' energy: -122.985
flat angles C4'-P-C4' energy: -115.864
flat angles P-C4'-P energy: -76.456
tors. eta vs tors. theta energy: -68.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -861.009111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.009111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.009111 (E_RNA)
where:
Base-Base interactions energy: -468.496
where: short stacking energy: -248.156
Base-Backbone interact. energy: -2.050
local terms energy: -390.462376
where:
bonds (distance) C4'-P energy: -102.675
bonds (distance) P-C4' energy: -125.748
flat angles C4'-P-C4' energy: -93.495
flat angles P-C4'-P energy: -46.550
tors. eta vs tors. theta energy: -21.994
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -736.236538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.236538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.236538 (E_RNA)
where:
Base-Base interactions energy: -363.830
where: short stacking energy: -231.362
Base-Backbone interact. energy: 2.192
local terms energy: -374.598729
where:
bonds (distance) C4'-P energy: -114.851
bonds (distance) P-C4' energy: -102.640
flat angles C4'-P-C4' energy: -83.466
flat angles P-C4'-P energy: -60.047
tors. eta vs tors. theta energy: -13.595
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: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2301.437035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.437035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.437035 (E_RNA)
where:
Base-Base interactions energy: -1553.212
where: short stacking energy: -708.681
Base-Backbone interact. energy: -0.698
local terms energy: -747.527701
where:
bonds (distance) C4'-P energy: -141.396
bonds (distance) P-C4' energy: -140.177
flat angles C4'-P-C4' energy: -157.794
flat angles P-C4'-P energy: -101.526
tors. eta vs tors. theta energy: -206.636
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: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2185.892790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.892790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.892790 (E_RNA)
where:
Base-Base interactions energy: -1483.033
where: short stacking energy: -639.871
Base-Backbone interact. energy: -1.367
local terms energy: -701.492999
where:
bonds (distance) C4'-P energy: -113.139
bonds (distance) P-C4' energy: -131.177
flat angles C4'-P-C4' energy: -161.062
flat angles P-C4'-P energy: -96.905
tors. eta vs tors. theta energy: -199.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2118.277648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.277648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.277648 (E_RNA)
where:
Base-Base interactions energy: -1468.780
where: short stacking energy: -608.571
Base-Backbone interact. energy: -4.709
local terms energy: -644.789596
where:
bonds (distance) C4'-P energy: -125.394
bonds (distance) P-C4' energy: -108.604
flat angles C4'-P-C4' energy: -146.071
flat angles P-C4'-P energy: -97.924
tors. eta vs tors. theta energy: -166.795
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: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1943.113414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.113414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.113414 (E_RNA)
where:
Base-Base interactions energy: -1344.539
where: short stacking energy: -561.908
Base-Backbone interact. energy: -1.844
local terms energy: -596.730537
where:
bonds (distance) C4'-P energy: -110.778
bonds (distance) P-C4' energy: -129.660
flat angles C4'-P-C4' energy: -129.691
flat angles P-C4'-P energy: -76.846
tors. eta vs tors. theta energy: -149.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1848.503048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.503048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.503048 (E_RNA)
where:
Base-Base interactions energy: -1214.724
where: short stacking energy: -556.367
Base-Backbone interact. energy: -0.522
local terms energy: -633.257976
where:
bonds (distance) C4'-P energy: -125.553
bonds (distance) P-C4' energy: -121.058
flat angles C4'-P-C4' energy: -140.218
flat angles P-C4'-P energy: -86.346
tors. eta vs tors. theta energy: -160.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1573.160228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.160228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.160228 (E_RNA)
where:
Base-Base interactions energy: -994.809
where: short stacking energy: -424.552
Base-Backbone interact. energy: 0.762
local terms energy: -579.113245
where:
bonds (distance) C4'-P energy: -122.748
bonds (distance) P-C4' energy: -132.228
flat angles C4'-P-C4' energy: -128.171
flat angles P-C4'-P energy: -92.861
tors. eta vs tors. theta energy: -103.106
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: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1490.202057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.202057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.202057 (E_RNA)
where:
Base-Base interactions energy: -963.208
where: short stacking energy: -424.955
Base-Backbone interact. energy: 0.171
local terms energy: -527.165487
where:
bonds (distance) C4'-P energy: -97.643
bonds (distance) P-C4' energy: -125.920
flat angles C4'-P-C4' energy: -129.376
flat angles P-C4'-P energy: -69.738
tors. eta vs tors. theta energy: -104.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1357.042269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.042269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.042269 (E_RNA)
where:
Base-Base interactions energy: -878.058
where: short stacking energy: -395.586
Base-Backbone interact. energy: 1.044
local terms energy: -480.028284
where:
bonds (distance) C4'-P energy: -122.286
bonds (distance) P-C4' energy: -99.376
flat angles C4'-P-C4' energy: -107.165
flat angles P-C4'-P energy: -80.786
tors. eta vs tors. theta energy: -70.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -883.865706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.865706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.865706 (E_RNA)
where:
Base-Base interactions energy: -500.983
where: short stacking energy: -272.864
Base-Backbone interact. energy: 0.650
local terms energy: -383.531849
where:
bonds (distance) C4'-P energy: -79.484
bonds (distance) P-C4' energy: -113.961
flat angles C4'-P-C4' energy: -106.828
flat angles P-C4'-P energy: -61.261
tors. eta vs tors. theta energy: -21.998
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: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -722.574882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.574882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.574882 (E_RNA)
where:
Base-Base interactions energy: -373.699
where: short stacking energy: -205.723
Base-Backbone interact. energy: -2.669
local terms energy: -346.207612
where:
bonds (distance) C4'-P energy: -99.951
bonds (distance) P-C4' energy: -104.654
flat angles C4'-P-C4' energy: -100.487
flat angles P-C4'-P energy: -43.982
tors. eta vs tors. theta energy: 2.867
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: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2278.978977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.978977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.978977 (E_RNA)
where:
Base-Base interactions energy: -1547.485
where: short stacking energy: -682.420
Base-Backbone interact. energy: 0.387
local terms energy: -731.880557
where:
bonds (distance) C4'-P energy: -131.073
bonds (distance) P-C4' energy: -139.411
flat angles C4'-P-C4' energy: -155.284
flat angles P-C4'-P energy: -106.208
tors. eta vs tors. theta energy: -199.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2207.355863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.355863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.355863 (E_RNA)
where:
Base-Base interactions energy: -1487.503
where: short stacking energy: -658.940
Base-Backbone interact. energy: 0.102
local terms energy: -719.954843
where:
bonds (distance) C4'-P energy: -134.555
bonds (distance) P-C4' energy: -128.650
flat angles C4'-P-C4' energy: -148.255
flat angles P-C4'-P energy: -107.368
tors. eta vs tors. theta energy: -201.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2122.921387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.921387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.921387 (E_RNA)
where:
Base-Base interactions energy: -1446.637
where: short stacking energy: -601.978
Base-Backbone interact. energy: -0.664
local terms energy: -675.620470
where:
bonds (distance) C4'-P energy: -115.695
bonds (distance) P-C4' energy: -133.723
flat angles C4'-P-C4' energy: -152.671
flat angles P-C4'-P energy: -95.828
tors. eta vs tors. theta energy: -177.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2009.412588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.412588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.412588 (E_RNA)
where:
Base-Base interactions energy: -1379.574
where: short stacking energy: -572.413
Base-Backbone interact. energy: 0.842
local terms energy: -630.680363
where:
bonds (distance) C4'-P energy: -128.663
bonds (distance) P-C4' energy: -132.222
flat angles C4'-P-C4' energy: -119.282
flat angles P-C4'-P energy: -86.260
tors. eta vs tors. theta energy: -164.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1837.752020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.752020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.752020 (E_RNA)
where:
Base-Base interactions energy: -1238.373
where: short stacking energy: -550.777
Base-Backbone interact. energy: -2.511
local terms energy: -596.867705
where:
bonds (distance) C4'-P energy: -113.342
bonds (distance) P-C4' energy: -121.973
flat angles C4'-P-C4' energy: -126.760
flat angles P-C4'-P energy: -84.146
tors. eta vs tors. theta energy: -150.647
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: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1607.277269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.277269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.277269 (E_RNA)
where:
Base-Base interactions energy: -1029.631
where: short stacking energy: -472.124
Base-Backbone interact. energy: 1.049
local terms energy: -578.694442
where:
bonds (distance) C4'-P energy: -120.521
bonds (distance) P-C4' energy: -136.989
flat angles C4'-P-C4' energy: -128.699
flat angles P-C4'-P energy: -86.923
tors. eta vs tors. theta energy: -105.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1502.247151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.247151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.247151 (E_RNA)
where:
Base-Base interactions energy: -991.870
where: short stacking energy: -439.919
Base-Backbone interact. energy: -2.160
local terms energy: -508.217282
where:
bonds (distance) C4'-P energy: -110.053
bonds (distance) P-C4' energy: -115.676
flat angles C4'-P-C4' energy: -112.177
flat angles P-C4'-P energy: -69.770
tors. eta vs tors. theta energy: -100.542
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: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1396.014480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.014480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.014480 (E_RNA)
where:
Base-Base interactions energy: -920.981
where: short stacking energy: -400.803
Base-Backbone interact. energy: 1.973
local terms energy: -477.006764
where:
bonds (distance) C4'-P energy: -117.819
bonds (distance) P-C4' energy: -126.846
flat angles C4'-P-C4' energy: -95.800
flat angles P-C4'-P energy: -51.756
tors. eta vs tors. theta energy: -84.787
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: 4
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -850.011332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.011332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.011332 (E_RNA)
where:
Base-Base interactions energy: -453.123
where: short stacking energy: -220.316
Base-Backbone interact. energy: 2.196
local terms energy: -399.084669
where:
bonds (distance) C4'-P energy: -95.143
bonds (distance) P-C4' energy: -125.287
flat angles C4'-P-C4' energy: -105.071
flat angles P-C4'-P energy: -65.209
tors. eta vs tors. theta energy: -8.374
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: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -741.034746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.034746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.034746 (E_RNA)
where:
Base-Base interactions energy: -365.992
where: short stacking energy: -192.585
Base-Backbone interact. energy: -0.059
local terms energy: -374.984021
where:
bonds (distance) C4'-P energy: -109.908
bonds (distance) P-C4' energy: -112.525
flat angles C4'-P-C4' energy: -90.118
flat angles P-C4'-P energy: -63.162
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2288.188873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.188873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.188873 (E_RNA)
where:
Base-Base interactions energy: -1576.794
where: short stacking energy: -689.948
Base-Backbone interact. energy: 1.790
local terms energy: -713.185053
where:
bonds (distance) C4'-P energy: -128.345
bonds (distance) P-C4' energy: -133.950
flat angles C4'-P-C4' energy: -148.685
flat angles P-C4'-P energy: -94.485
tors. eta vs tors. theta energy: -207.720
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: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2220.223498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.223498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.223498 (E_RNA)
where:
Base-Base interactions energy: -1509.209
where: short stacking energy: -670.391
Base-Backbone interact. energy: -2.149
local terms energy: -708.864956
where:
bonds (distance) C4'-P energy: -123.681
bonds (distance) P-C4' energy: -125.207
flat angles C4'-P-C4' energy: -153.843
flat angles P-C4'-P energy: -97.566
tors. eta vs tors. theta energy: -208.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2136.129848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.129848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.129848 (E_RNA)
where:
Base-Base interactions energy: -1468.363
where: short stacking energy: -614.968
Base-Backbone interact. energy: -0.447
local terms energy: -667.320103
where:
bonds (distance) C4'-P energy: -110.062
bonds (distance) P-C4' energy: -128.750
flat angles C4'-P-C4' energy: -154.381
flat angles P-C4'-P energy: -87.715
tors. eta vs tors. theta energy: -186.413
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: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1931.190859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.190859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.190859 (E_RNA)
where:
Base-Base interactions energy: -1319.920
where: short stacking energy: -566.329
Base-Backbone interact. energy: -2.726
local terms energy: -608.544756
where:
bonds (distance) C4'-P energy: -116.878
bonds (distance) P-C4' energy: -117.164
flat angles C4'-P-C4' energy: -135.003
flat angles P-C4'-P energy: -86.686
tors. eta vs tors. theta energy: -152.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1877.408619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.408619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.408619 (E_RNA)
where:
Base-Base interactions energy: -1254.512
where: short stacking energy: -579.457
Base-Backbone interact. energy: 0.618
local terms energy: -623.514170
where:
bonds (distance) C4'-P energy: -115.737
bonds (distance) P-C4' energy: -120.965
flat angles C4'-P-C4' energy: -129.773
flat angles P-C4'-P energy: -84.225
tors. eta vs tors. theta energy: -172.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1594.516795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.516795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.516795 (E_RNA)
where:
Base-Base interactions energy: -1054.706
where: short stacking energy: -456.095
Base-Backbone interact. energy: -2.488
local terms energy: -537.322967
where:
bonds (distance) C4'-P energy: -95.988
bonds (distance) P-C4' energy: -121.523
flat angles C4'-P-C4' energy: -142.192
flat angles P-C4'-P energy: -76.290
tors. eta vs tors. theta energy: -101.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1481.422076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.422076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.422076 (E_RNA)
where:
Base-Base interactions energy: -945.104
where: short stacking energy: -415.530
Base-Backbone interact. energy: -1.332
local terms energy: -534.986551
where:
bonds (distance) C4'-P energy: -108.197
bonds (distance) P-C4' energy: -117.859
flat angles C4'-P-C4' energy: -126.244
flat angles P-C4'-P energy: -87.224
tors. eta vs tors. theta energy: -95.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1294.056101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.056101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.056101 (E_RNA)
where:
Base-Base interactions energy: -849.362
where: short stacking energy: -381.427
Base-Backbone interact. energy: 3.330
local terms energy: -448.024761
where:
bonds (distance) C4'-P energy: -95.597
bonds (distance) P-C4' energy: -101.683
flat angles C4'-P-C4' energy: -114.053
flat angles P-C4'-P energy: -68.662
tors. eta vs tors. theta energy: -68.029
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: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -833.433859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.433859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.433859 (E_RNA)
where:
Base-Base interactions energy: -448.768
where: short stacking energy: -257.971
Base-Backbone interact. energy: -1.120
local terms energy: -383.546050
where:
bonds (distance) C4'-P energy: -105.319
bonds (distance) P-C4' energy: -111.238
flat angles C4'-P-C4' energy: -103.498
flat angles P-C4'-P energy: -38.500
tors. eta vs tors. theta energy: -24.991
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: 224
Temperature: 1.350000
Total energy: -711.118171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.118171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.118171 (E_RNA)
where:
Base-Base interactions energy: -357.173
where: short stacking energy: -193.663
Base-Backbone interact. energy: -0.532
local terms energy: -353.413127
where:
bonds (distance) C4'-P energy: -95.614
bonds (distance) P-C4' energy: -113.427
flat angles C4'-P-C4' energy: -99.861
flat angles P-C4'-P energy: -44.892
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2292.536933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.536933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.536933 (E_RNA)
where:
Base-Base interactions energy: -1611.552
where: short stacking energy: -702.821
Base-Backbone interact. energy: 3.065
local terms energy: -684.049787
where:
bonds (distance) C4'-P energy: -115.143
bonds (distance) P-C4' energy: -125.929
flat angles C4'-P-C4' energy: -148.523
flat angles P-C4'-P energy: -86.398
tors. eta vs tors. theta energy: -208.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2227.857051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.857051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.857051 (E_RNA)
where:
Base-Base interactions energy: -1509.247
where: short stacking energy: -672.372
Base-Backbone interact. energy: -1.170
local terms energy: -717.440364
where:
bonds (distance) C4'-P energy: -124.445
bonds (distance) P-C4' energy: -144.176
flat angles C4'-P-C4' energy: -154.047
flat angles P-C4'-P energy: -108.642
tors. eta vs tors. theta energy: -186.129
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: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2139.467227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.467227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.467227 (E_RNA)
where:
Base-Base interactions energy: -1460.376
where: short stacking energy: -611.969
Base-Backbone interact. energy: -0.730
local terms energy: -678.360940
where:
bonds (distance) C4'-P energy: -126.879
bonds (distance) P-C4' energy: -131.953
flat angles C4'-P-C4' energy: -151.678
flat angles P-C4'-P energy: -84.353
tors. eta vs tors. theta energy: -183.498
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: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1955.200174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.200174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.200174 (E_RNA)
where:
Base-Base interactions energy: -1337.773
where: short stacking energy: -553.264
Base-Backbone interact. energy: -0.688
local terms energy: -616.739562
where:
bonds (distance) C4'-P energy: -121.887
bonds (distance) P-C4' energy: -119.113
flat angles C4'-P-C4' energy: -144.473
flat angles P-C4'-P energy: -81.553
tors. eta vs tors. theta energy: -149.714
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: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1848.568080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.568080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.568080 (E_RNA)
where:
Base-Base interactions energy: -1272.612
where: short stacking energy: -546.273
Base-Backbone interact. energy: -1.811
local terms energy: -574.144889
where:
bonds (distance) C4'-P energy: -103.043
bonds (distance) P-C4' energy: -117.356
flat angles C4'-P-C4' energy: -113.617
flat angles P-C4'-P energy: -88.136
tors. eta vs tors. theta energy: -151.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1602.154486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.154486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.154486 (E_RNA)
where:
Base-Base interactions energy: -1087.467
where: short stacking energy: -464.321
Base-Backbone interact. energy: -3.236
local terms energy: -511.450978
where:
bonds (distance) C4'-P energy: -99.177
bonds (distance) P-C4' energy: -113.682
flat angles C4'-P-C4' energy: -122.733
flat angles P-C4'-P energy: -68.063
tors. eta vs tors. theta energy: -107.796
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: 225
Temperature: 1.200000
Total energy: -1521.833938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.833938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.833938 (E_RNA)
where:
Base-Base interactions energy: -1016.359
where: short stacking energy: -433.207
Base-Backbone interact. energy: -0.240
local terms energy: -505.234756
where:
bonds (distance) C4'-P energy: -105.664
bonds (distance) P-C4' energy: -123.829
flat angles C4'-P-C4' energy: -104.566
flat angles P-C4'-P energy: -76.430
tors. eta vs tors. theta energy: -94.744
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: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1269.255739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.255739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.255739 (E_RNA)
where:
Base-Base interactions energy: -797.786
where: short stacking energy: -366.593
Base-Backbone interact. energy: -2.985
local terms energy: -468.485316
where:
bonds (distance) C4'-P energy: -100.133
bonds (distance) P-C4' energy: -123.628
flat angles C4'-P-C4' energy: -103.471
flat angles P-C4'-P energy: -73.557
tors. eta vs tors. theta energy: -67.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -844.028410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.028410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.028410 (E_RNA)
where:
Base-Base interactions energy: -461.702
where: short stacking energy: -254.280
Base-Backbone interact. energy: 1.191
local terms energy: -383.517266
where:
bonds (distance) C4'-P energy: -104.038
bonds (distance) P-C4' energy: -102.235
flat angles C4'-P-C4' energy: -105.564
flat angles P-C4'-P energy: -60.444
tors. eta vs tors. theta energy: -11.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -792.439309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.439309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.439309 (E_RNA)
where:
Base-Base interactions energy: -395.967
where: short stacking energy: -219.727
Base-Backbone interact. energy: -1.937
local terms energy: -394.535598
where:
bonds (distance) C4'-P energy: -107.046
bonds (distance) P-C4' energy: -106.184
flat angles C4'-P-C4' energy: -94.202
flat angles P-C4'-P energy: -72.632
tors. eta vs tors. theta energy: -14.471
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: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2302.578450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.578450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.578450 (E_RNA)
where:
Base-Base interactions energy: -1584.086
where: short stacking energy: -704.225
Base-Backbone interact. energy: -1.098
local terms energy: -717.395307
where:
bonds (distance) C4'-P energy: -114.635
bonds (distance) P-C4' energy: -126.640
flat angles C4'-P-C4' energy: -152.666
flat angles P-C4'-P energy: -110.230
tors. eta vs tors. theta energy: -213.223
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: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2239.573660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.573660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.573660 (E_RNA)
where:
Base-Base interactions energy: -1519.025
where: short stacking energy: -662.828
Base-Backbone interact. energy: 2.345
local terms energy: -722.893607
where:
bonds (distance) C4'-P energy: -140.983
bonds (distance) P-C4' energy: -132.455
flat angles C4'-P-C4' energy: -148.987
flat angles P-C4'-P energy: -97.309
tors. eta vs tors. theta energy: -203.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2128.921398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.921398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.921398 (E_RNA)
where:
Base-Base interactions energy: -1467.608
where: short stacking energy: -598.979
Base-Backbone interact. energy: -0.500
local terms energy: -660.813487
where:
bonds (distance) C4'-P energy: -130.440
bonds (distance) P-C4' energy: -125.431
flat angles C4'-P-C4' energy: -135.814
flat angles P-C4'-P energy: -92.877
tors. eta vs tors. theta energy: -176.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1948.464884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.464884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.464884 (E_RNA)
where:
Base-Base interactions energy: -1325.914
where: short stacking energy: -560.687
Base-Backbone interact. energy: -2.250
local terms energy: -620.300324
where:
bonds (distance) C4'-P energy: -115.173
bonds (distance) P-C4' energy: -122.618
flat angles C4'-P-C4' energy: -143.988
flat angles P-C4'-P energy: -80.239
tors. eta vs tors. theta energy: -158.283
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: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1875.284378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.284378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.284378 (E_RNA)
where:
Base-Base interactions energy: -1284.055
where: short stacking energy: -573.383
Base-Backbone interact. energy: 3.083
local terms energy: -594.312478
where:
bonds (distance) C4'-P energy: -113.889
bonds (distance) P-C4' energy: -107.766
flat angles C4'-P-C4' energy: -130.921
flat angles P-C4'-P energy: -80.091
tors. eta vs tors. theta energy: -161.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1634.692618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.692618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.692618 (E_RNA)
where:
Base-Base interactions energy: -1056.525
where: short stacking energy: -469.465
Base-Backbone interact. energy: 0.991
local terms energy: -579.158929
where:
bonds (distance) C4'-P energy: -116.630
bonds (distance) P-C4' energy: -127.243
flat angles C4'-P-C4' energy: -131.246
flat angles P-C4'-P energy: -79.616
tors. eta vs tors. theta energy: -124.424
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: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1532.337038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.337038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.337038 (E_RNA)
where:
Base-Base interactions energy: -985.727
where: short stacking energy: -428.581
Base-Backbone interact. energy: 0.261
local terms energy: -546.871448
where:
bonds (distance) C4'-P energy: -120.375
bonds (distance) P-C4' energy: -125.627
flat angles C4'-P-C4' energy: -122.451
flat angles P-C4'-P energy: -68.704
tors. eta vs tors. theta energy: -109.714
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: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1272.199845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.199845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.199845 (E_RNA)
where:
Base-Base interactions energy: -796.553
where: short stacking energy: -381.398
Base-Backbone interact. energy: -0.812
local terms energy: -474.834597
where:
bonds (distance) C4'-P energy: -114.255
bonds (distance) P-C4' energy: -110.508
flat angles C4'-P-C4' energy: -108.310
flat angles P-C4'-P energy: -72.462
tors. eta vs tors. theta energy: -69.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -846.581036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.581036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.581036 (E_RNA)
where:
Base-Base interactions energy: -438.131
where: short stacking energy: -207.613
Base-Backbone interact. energy: 0.855
local terms energy: -409.304833
where:
bonds (distance) C4'-P energy: -124.680
bonds (distance) P-C4' energy: -110.071
flat angles C4'-P-C4' energy: -106.702
flat angles P-C4'-P energy: -49.128
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -740.313443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.313443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.313443 (E_RNA)
where:
Base-Base interactions energy: -348.262
where: short stacking energy: -212.643
Base-Backbone interact. energy: 1.650
local terms energy: -393.701624
where:
bonds (distance) C4'-P energy: -107.706
bonds (distance) P-C4' energy: -110.447
flat angles C4'-P-C4' energy: -102.549
flat angles P-C4'-P energy: -76.353
tors. eta vs tors. theta energy: 3.354
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: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2307.470497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.470497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.470497 (E_RNA)
where:
Base-Base interactions energy: -1590.847
where: short stacking energy: -714.362
Base-Backbone interact. energy: -1.625
local terms energy: -714.998954
where:
bonds (distance) C4'-P energy: -118.525
bonds (distance) P-C4' energy: -141.702
flat angles C4'-P-C4' energy: -151.941
flat angles P-C4'-P energy: -101.708
tors. eta vs tors. theta energy: -201.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2264.986732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.986732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.986732 (E_RNA)
where:
Base-Base interactions energy: -1550.193
where: short stacking energy: -669.663
Base-Backbone interact. energy: -1.043
local terms energy: -713.750013
where:
bonds (distance) C4'-P energy: -132.056
bonds (distance) P-C4' energy: -133.099
flat angles C4'-P-C4' energy: -151.091
flat angles P-C4'-P energy: -99.812
tors. eta vs tors. theta energy: -197.692
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: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2148.368660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.368660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.368660 (E_RNA)
where:
Base-Base interactions energy: -1492.359
where: short stacking energy: -632.053
Base-Backbone interact. energy: -3.647
local terms energy: -652.362824
where:
bonds (distance) C4'-P energy: -105.523
bonds (distance) P-C4' energy: -136.067
flat angles C4'-P-C4' energy: -135.153
flat angles P-C4'-P energy: -95.487
tors. eta vs tors. theta energy: -180.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1942.109035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.109035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.109035 (E_RNA)
where:
Base-Base interactions energy: -1345.003
where: short stacking energy: -568.121
Base-Backbone interact. energy: -0.694
local terms energy: -596.411278
where:
bonds (distance) C4'-P energy: -101.959
bonds (distance) P-C4' energy: -126.102
flat angles C4'-P-C4' energy: -144.167
flat angles P-C4'-P energy: -81.812
tors. eta vs tors. theta energy: -142.372
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: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1870.735324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.735324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.735324 (E_RNA)
where:
Base-Base interactions energy: -1239.173
where: short stacking energy: -559.916
Base-Backbone interact. energy: 1.097
local terms energy: -632.658869
where:
bonds (distance) C4'-P energy: -128.242
bonds (distance) P-C4' energy: -120.867
flat angles C4'-P-C4' energy: -135.731
flat angles P-C4'-P energy: -89.920
tors. eta vs tors. theta energy: -157.899
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: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1611.756223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.756223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.756223 (E_RNA)
where:
Base-Base interactions energy: -1077.478
where: short stacking energy: -476.372
Base-Backbone interact. energy: 0.112
local terms energy: -534.390765
where:
bonds (distance) C4'-P energy: -112.977
bonds (distance) P-C4' energy: -128.238
flat angles C4'-P-C4' energy: -106.438
flat angles P-C4'-P energy: -75.453
tors. eta vs tors. theta energy: -111.284
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: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1556.846677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.846677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.846677 (E_RNA)
where:
Base-Base interactions energy: -1049.428
where: short stacking energy: -428.936
Base-Backbone interact. energy: -2.650
local terms energy: -504.767872
where:
bonds (distance) C4'-P energy: -94.972
bonds (distance) P-C4' energy: -120.776
flat angles C4'-P-C4' energy: -107.479
flat angles P-C4'-P energy: -69.183
tors. eta vs tors. theta energy: -112.357
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: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1235.332413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.332413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.332413 (E_RNA)
where:
Base-Base interactions energy: -786.862
where: short stacking energy: -359.118
Base-Backbone interact. energy: -1.621
local terms energy: -446.849387
where:
bonds (distance) C4'-P energy: -103.888
bonds (distance) P-C4' energy: -117.721
flat angles C4'-P-C4' energy: -103.915
flat angles P-C4'-P energy: -73.676
tors. eta vs tors. theta energy: -47.649
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: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -840.005782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.005782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.005782 (E_RNA)
where:
Base-Base interactions energy: -443.005
where: short stacking energy: -235.436
Base-Backbone interact. energy: 2.277
local terms energy: -399.277668
where:
bonds (distance) C4'-P energy: -99.446
bonds (distance) P-C4' energy: -128.451
flat angles C4'-P-C4' energy: -96.014
flat angles P-C4'-P energy: -60.406
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -756.624164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.624164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.624164 (E_RNA)
where:
Base-Base interactions energy: -384.805
where: short stacking energy: -222.412
Base-Backbone interact. energy: 0.889
local terms energy: -372.707943
where:
bonds (distance) C4'-P energy: -109.095
bonds (distance) P-C4' energy: -101.797
flat angles C4'-P-C4' energy: -108.408
flat angles P-C4'-P energy: -39.885
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2296.715029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.715029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.715029 (E_RNA)
where:
Base-Base interactions energy: -1565.193
where: short stacking energy: -695.361
Base-Backbone interact. energy: -2.681
local terms energy: -728.841571
where:
bonds (distance) C4'-P energy: -146.113
bonds (distance) P-C4' energy: -125.992
flat angles C4'-P-C4' energy: -151.474
flat angles P-C4'-P energy: -109.867
tors. eta vs tors. theta energy: -195.395
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: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2217.522192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.522192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.522192 (E_RNA)
where:
Base-Base interactions energy: -1518.525
where: short stacking energy: -673.740
Base-Backbone interact. energy: -2.997
local terms energy: -696.000022
where:
bonds (distance) C4'-P energy: -123.796
bonds (distance) P-C4' energy: -120.908
flat angles C4'-P-C4' energy: -146.398
flat angles P-C4'-P energy: -107.001
tors. eta vs tors. theta energy: -197.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2198.481899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.481899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.481899 (E_RNA)
where:
Base-Base interactions energy: -1506.444
where: short stacking energy: -627.734
Base-Backbone interact. energy: -1.669
local terms energy: -690.368765
where:
bonds (distance) C4'-P energy: -124.234
bonds (distance) P-C4' energy: -141.509
flat angles C4'-P-C4' energy: -145.754
flat angles P-C4'-P energy: -96.554
tors. eta vs tors. theta energy: -182.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1920.696470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.696470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.696470 (E_RNA)
where:
Base-Base interactions energy: -1298.329
where: short stacking energy: -572.207
Base-Backbone interact. energy: -1.017
local terms energy: -621.351192
where:
bonds (distance) C4'-P energy: -106.080
bonds (distance) P-C4' energy: -128.430
flat angles C4'-P-C4' energy: -138.718
flat angles P-C4'-P energy: -81.851
tors. eta vs tors. theta energy: -166.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1862.021191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.021191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.021191 (E_RNA)
where:
Base-Base interactions energy: -1267.673
where: short stacking energy: -598.342
Base-Backbone interact. energy: -4.880
local terms energy: -589.467437
where:
bonds (distance) C4'-P energy: -87.965
bonds (distance) P-C4' energy: -112.514
flat angles C4'-P-C4' energy: -138.706
flat angles P-C4'-P energy: -73.155
tors. eta vs tors. theta energy: -177.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1604.442570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.442570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.442570 (E_RNA)
where:
Base-Base interactions energy: -1043.860
where: short stacking energy: -457.262
Base-Backbone interact. energy: 0.311
local terms energy: -560.893797
where:
bonds (distance) C4'-P energy: -112.922
bonds (distance) P-C4' energy: -129.650
flat angles C4'-P-C4' energy: -131.156
flat angles P-C4'-P energy: -69.021
tors. eta vs tors. theta energy: -118.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1568.592395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.592395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.592395 (E_RNA)
where:
Base-Base interactions energy: -1015.238
where: short stacking energy: -428.891
Base-Backbone interact. energy: 4.945
local terms energy: -558.299178
where:
bonds (distance) C4'-P energy: -120.411
bonds (distance) P-C4' energy: -123.343
flat angles C4'-P-C4' energy: -132.669
flat angles P-C4'-P energy: -76.790
tors. eta vs tors. theta energy: -105.086
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: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1255.885862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.885862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.885862 (E_RNA)
where:
Base-Base interactions energy: -769.279
where: short stacking energy: -330.309
Base-Backbone interact. energy: -1.036
local terms energy: -485.570551
where:
bonds (distance) C4'-P energy: -119.406
bonds (distance) P-C4' energy: -95.334
flat angles C4'-P-C4' energy: -124.720
flat angles P-C4'-P energy: -73.364
tors. eta vs tors. theta energy: -72.746
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: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -876.790222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.790222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.790222 (E_RNA)
where:
Base-Base interactions energy: -490.753
where: short stacking energy: -259.932
Base-Backbone interact. energy: 0.876
local terms energy: -386.913785
where:
bonds (distance) C4'-P energy: -106.067
bonds (distance) P-C4' energy: -110.265
flat angles C4'-P-C4' energy: -94.834
flat angles P-C4'-P energy: -46.485
tors. eta vs tors. theta energy: -29.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -748.228873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.228873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.228873 (E_RNA)
where:
Base-Base interactions energy: -392.413
where: short stacking energy: -211.690
Base-Backbone interact. energy: 5.132
local terms energy: -360.947710
where:
bonds (distance) C4'-P energy: -97.992
bonds (distance) P-C4' energy: -108.473
flat angles C4'-P-C4' energy: -92.452
flat angles P-C4'-P energy: -58.051
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2279.734115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.734115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.734115 (E_RNA)
where:
Base-Base interactions energy: -1550.609
where: short stacking energy: -668.178
Base-Backbone interact. energy: -1.568
local terms energy: -727.557657
where:
bonds (distance) C4'-P energy: -135.130
bonds (distance) P-C4' energy: -141.123
flat angles C4'-P-C4' energy: -147.789
flat angles P-C4'-P energy: -100.830
tors. eta vs tors. theta energy: -202.686
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: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2284.434809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.434809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.434809 (E_RNA)
where:
Base-Base interactions energy: -1555.744
where: short stacking energy: -679.813
Base-Backbone interact. energy: -0.120
local terms energy: -728.571256
where:
bonds (distance) C4'-P energy: -125.661
bonds (distance) P-C4' energy: -133.458
flat angles C4'-P-C4' energy: -155.296
flat angles P-C4'-P energy: -98.471
tors. eta vs tors. theta energy: -215.686
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: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2156.779273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.779273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.779273 (E_RNA)
where:
Base-Base interactions energy: -1481.965
where: short stacking energy: -604.815
Base-Backbone interact. energy: 0.995
local terms energy: -675.809872
where:
bonds (distance) C4'-P energy: -133.175
bonds (distance) P-C4' energy: -119.329
flat angles C4'-P-C4' energy: -143.210
flat angles P-C4'-P energy: -95.662
tors. eta vs tors. theta energy: -184.435
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: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1945.839234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.839234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.839234 (E_RNA)
where:
Base-Base interactions energy: -1324.828
where: short stacking energy: -568.474
Base-Backbone interact. energy: -0.181
local terms energy: -620.829888
where:
bonds (distance) C4'-P energy: -120.545
bonds (distance) P-C4' energy: -125.039
flat angles C4'-P-C4' energy: -135.239
flat angles P-C4'-P energy: -78.890
tors. eta vs tors. theta energy: -161.117
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: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1816.165189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.165189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.165189 (E_RNA)
where:
Base-Base interactions energy: -1208.756
where: short stacking energy: -552.155
Base-Backbone interact. energy: -0.264
local terms energy: -607.145811
where:
bonds (distance) C4'-P energy: -106.142
bonds (distance) P-C4' energy: -112.213
flat angles C4'-P-C4' energy: -142.339
flat angles P-C4'-P energy: -96.072
tors. eta vs tors. theta energy: -150.380
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: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1597.743370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.743370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.743370 (E_RNA)
where:
Base-Base interactions energy: -1070.189
where: short stacking energy: -495.983
Base-Backbone interact. energy: 1.838
local terms energy: -529.392897
where:
bonds (distance) C4'-P energy: -108.465
bonds (distance) P-C4' energy: -115.183
flat angles C4'-P-C4' energy: -127.718
flat angles P-C4'-P energy: -65.410
tors. eta vs tors. theta energy: -112.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1527.844543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.844543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.844543 (E_RNA)
where:
Base-Base interactions energy: -975.434
where: short stacking energy: -437.998
Base-Backbone interact. energy: -2.784
local terms energy: -549.626959
where:
bonds (distance) C4'-P energy: -104.276
bonds (distance) P-C4' energy: -123.170
flat angles C4'-P-C4' energy: -122.793
flat angles P-C4'-P energy: -88.821
tors. eta vs tors. theta energy: -110.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1302.055248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.055248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.055248 (E_RNA)
where:
Base-Base interactions energy: -829.008
where: short stacking energy: -377.200
Base-Backbone interact. energy: -0.587
local terms energy: -472.460210
where:
bonds (distance) C4'-P energy: -91.965
bonds (distance) P-C4' energy: -115.157
flat angles C4'-P-C4' energy: -123.649
flat angles P-C4'-P energy: -61.978
tors. eta vs tors. theta energy: -79.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -956.198703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.198703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.198703 (E_RNA)
where:
Base-Base interactions energy: -527.150
where: short stacking energy: -280.791
Base-Backbone interact. energy: 0.388
local terms energy: -429.437305
where:
bonds (distance) C4'-P energy: -113.158
bonds (distance) P-C4' energy: -119.373
flat angles C4'-P-C4' energy: -104.130
flat angles P-C4'-P energy: -53.434
tors. eta vs tors. theta energy: -39.342
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: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -756.441047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.441047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.441047 (E_RNA)
where:
Base-Base interactions energy: -415.624
where: short stacking energy: -236.570
Base-Backbone interact. energy: -0.633
local terms energy: -340.184103
where:
bonds (distance) C4'-P energy: -98.368
bonds (distance) P-C4' energy: -102.956
flat angles C4'-P-C4' energy: -83.790
flat angles P-C4'-P energy: -50.014
tors. eta vs tors. theta energy: -5.056
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: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2303.649756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.649756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.649756 (E_RNA)
where:
Base-Base interactions energy: -1585.006
where: short stacking energy: -683.491
Base-Backbone interact. energy: -1.172
local terms energy: -717.472281
where:
bonds (distance) C4'-P energy: -119.022
bonds (distance) P-C4' energy: -139.288
flat angles C4'-P-C4' energy: -145.800
flat angles P-C4'-P energy: -100.544
tors. eta vs tors. theta energy: -212.818
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: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2219.850177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.850177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.850177 (E_RNA)
where:
Base-Base interactions energy: -1527.969
where: short stacking energy: -652.207
Base-Backbone interact. energy: 6.924
local terms energy: -698.805763
where:
bonds (distance) C4'-P energy: -128.624
bonds (distance) P-C4' energy: -129.229
flat angles C4'-P-C4' energy: -138.437
flat angles P-C4'-P energy: -104.091
tors. eta vs tors. theta energy: -198.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2141.066158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.066158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.066158 (E_RNA)
where:
Base-Base interactions energy: -1464.092
where: short stacking energy: -605.150
Base-Backbone interact. energy: 0.593
local terms energy: -677.567216
where:
bonds (distance) C4'-P energy: -117.604
bonds (distance) P-C4' energy: -135.728
flat angles C4'-P-C4' energy: -151.161
flat angles P-C4'-P energy: -96.595
tors. eta vs tors. theta energy: -176.478
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: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1972.830257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.830257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.830257 (E_RNA)
where:
Base-Base interactions energy: -1353.109
where: short stacking energy: -579.940
Base-Backbone interact. energy: -2.048
local terms energy: -617.672859
where:
bonds (distance) C4'-P energy: -122.445
bonds (distance) P-C4' energy: -129.106
flat angles C4'-P-C4' energy: -134.900
flat angles P-C4'-P energy: -74.385
tors. eta vs tors. theta energy: -156.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1862.917600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.917600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.917600 (E_RNA)
where:
Base-Base interactions energy: -1272.678
where: short stacking energy: -561.511
Base-Backbone interact. energy: -3.248
local terms energy: -586.991526
where:
bonds (distance) C4'-P energy: -117.216
bonds (distance) P-C4' energy: -119.769
flat angles C4'-P-C4' energy: -128.123
flat angles P-C4'-P energy: -75.054
tors. eta vs tors. theta energy: -146.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1588.398520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.398520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.398520 (E_RNA)
where:
Base-Base interactions energy: -1058.498
where: short stacking energy: -476.279
Base-Backbone interact. energy: 0.154
local terms energy: -530.054016
where:
bonds (distance) C4'-P energy: -111.751
bonds (distance) P-C4' energy: -107.919
flat angles C4'-P-C4' energy: -116.214
flat angles P-C4'-P energy: -65.746
tors. eta vs tors. theta energy: -128.424
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: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1580.567211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.567211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.567211 (E_RNA)
where:
Base-Base interactions energy: -1030.864
where: short stacking energy: -458.647
Base-Backbone interact. energy: 0.613
local terms energy: -550.316289
where:
bonds (distance) C4'-P energy: -128.168
bonds (distance) P-C4' energy: -121.130
flat angles C4'-P-C4' energy: -114.470
flat angles P-C4'-P energy: -83.554
tors. eta vs tors. theta energy: -102.994
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: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1320.862958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.862958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.862958 (E_RNA)
where:
Base-Base interactions energy: -830.897
where: short stacking energy: -358.382
Base-Backbone interact. energy: -3.533
local terms energy: -486.432127
where:
bonds (distance) C4'-P energy: -128.074
bonds (distance) P-C4' energy: -96.895
flat angles C4'-P-C4' energy: -127.533
flat angles P-C4'-P energy: -58.158
tors. eta vs tors. theta energy: -75.772
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: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -947.574487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.574487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.574487 (E_RNA)
where:
Base-Base interactions energy: -541.739
where: short stacking energy: -269.412
Base-Backbone interact. energy: -1.000
local terms energy: -404.835625
where:
bonds (distance) C4'-P energy: -125.767
bonds (distance) P-C4' energy: -120.013
flat angles C4'-P-C4' energy: -93.321
flat angles P-C4'-P energy: -60.765
tors. eta vs tors. theta energy: -4.970
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: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -731.256521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.256521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.256521 (E_RNA)
where:
Base-Base interactions energy: -369.078
where: short stacking energy: -200.530
Base-Backbone interact. energy: 6.744
local terms energy: -368.922829
where:
bonds (distance) C4'-P energy: -113.376
bonds (distance) P-C4' energy: -107.839
flat angles C4'-P-C4' energy: -94.369
flat angles P-C4'-P energy: -57.203
tors. eta vs tors. theta energy: 3.864
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: 231
Temperature: 0.900000
Total energy: -2292.935112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.935112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.935112 (E_RNA)
where:
Base-Base interactions energy: -1555.239
where: short stacking energy: -700.913
Base-Backbone interact. energy: -1.128
local terms energy: -736.568006
where:
bonds (distance) C4'-P energy: -143.065
bonds (distance) P-C4' energy: -129.557
flat angles C4'-P-C4' energy: -154.404
flat angles P-C4'-P energy: -103.053
tors. eta vs tors. theta energy: -206.490
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: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2246.710446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.710446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.710446 (E_RNA)
where:
Base-Base interactions energy: -1542.207
where: short stacking energy: -679.943
Base-Backbone interact. energy: 0.873
local terms energy: -705.376249
where:
bonds (distance) C4'-P energy: -109.492
bonds (distance) P-C4' energy: -145.705
flat angles C4'-P-C4' energy: -150.885
flat angles P-C4'-P energy: -91.945
tors. eta vs tors. theta energy: -207.349
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: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2118.999243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.999243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.999243 (E_RNA)
where:
Base-Base interactions energy: -1460.213
where: short stacking energy: -623.376
Base-Backbone interact. energy: -2.238
local terms energy: -656.547882
where:
bonds (distance) C4'-P energy: -118.158
bonds (distance) P-C4' energy: -126.581
flat angles C4'-P-C4' energy: -150.650
flat angles P-C4'-P energy: -87.704
tors. eta vs tors. theta energy: -173.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1999.527556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.527556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.527556 (E_RNA)
where:
Base-Base interactions energy: -1375.267
where: short stacking energy: -588.200
Base-Backbone interact. energy: -1.159
local terms energy: -623.101519
where:
bonds (distance) C4'-P energy: -137.944
bonds (distance) P-C4' energy: -107.458
flat angles C4'-P-C4' energy: -128.059
flat angles P-C4'-P energy: -91.837
tors. eta vs tors. theta energy: -157.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1975.150497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.150497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.150497 (E_RNA)
where:
Base-Base interactions energy: -1338.533
where: short stacking energy: -568.743
Base-Backbone interact. energy: 1.242
local terms energy: -637.858918
where:
bonds (distance) C4'-P energy: -122.971
bonds (distance) P-C4' energy: -117.894
flat angles C4'-P-C4' energy: -141.264
flat angles P-C4'-P energy: -86.396
tors. eta vs tors. theta energy: -169.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1642.691057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.691057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.691057 (E_RNA)
where:
Base-Base interactions energy: -1103.533
where: short stacking energy: -493.303
Base-Backbone interact. energy: -2.001
local terms energy: -537.157243
where:
bonds (distance) C4'-P energy: -119.569
bonds (distance) P-C4' energy: -106.730
flat angles C4'-P-C4' energy: -123.642
flat angles P-C4'-P energy: -72.111
tors. eta vs tors. theta energy: -115.106
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: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1519.218802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.218802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.218802 (E_RNA)
where:
Base-Base interactions energy: -993.053
where: short stacking energy: -418.860
Base-Backbone interact. energy: -4.533
local terms energy: -521.632889
where:
bonds (distance) C4'-P energy: -118.705
bonds (distance) P-C4' energy: -114.917
flat angles C4'-P-C4' energy: -107.051
flat angles P-C4'-P energy: -77.115
tors. eta vs tors. theta energy: -103.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1357.898403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.898403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.898403 (E_RNA)
where:
Base-Base interactions energy: -857.548
where: short stacking energy: -404.559
Base-Backbone interact. energy: 0.666
local terms energy: -501.015711
where:
bonds (distance) C4'-P energy: -100.641
bonds (distance) P-C4' energy: -129.597
flat angles C4'-P-C4' energy: -104.211
flat angles P-C4'-P energy: -63.526
tors. eta vs tors. theta energy: -103.041
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: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -901.672442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.672442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.672442 (E_RNA)
where:
Base-Base interactions energy: -504.966
where: short stacking energy: -265.227
Base-Backbone interact. energy: 4.687
local terms energy: -401.392759
where:
bonds (distance) C4'-P energy: -116.849
bonds (distance) P-C4' energy: -100.335
flat angles C4'-P-C4' energy: -99.217
flat angles P-C4'-P energy: -65.093
tors. eta vs tors. theta energy: -19.899
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: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -707.387943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.387943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.387943 (E_RNA)
where:
Base-Base interactions energy: -351.214
where: short stacking energy: -192.596
Base-Backbone interact. energy: -1.722
local terms energy: -354.451987
where:
bonds (distance) C4'-P energy: -105.966
bonds (distance) P-C4' energy: -108.965
flat angles C4'-P-C4' energy: -86.024
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -1.207
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: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2261.838367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.838367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.838367 (E_RNA)
where:
Base-Base interactions energy: -1545.686
where: short stacking energy: -674.133
Base-Backbone interact. energy: -1.172
local terms energy: -714.980134
where:
bonds (distance) C4'-P energy: -120.864
bonds (distance) P-C4' energy: -129.236
flat angles C4'-P-C4' energy: -149.420
flat angles P-C4'-P energy: -114.162
tors. eta vs tors. theta energy: -201.298
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: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2269.660100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.660100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.660100 (E_RNA)
where:
Base-Base interactions energy: -1552.965
where: short stacking energy: -686.832
Base-Backbone interact. energy: -1.177
local terms energy: -715.518106
where:
bonds (distance) C4'-P energy: -108.864
bonds (distance) P-C4' energy: -132.016
flat angles C4'-P-C4' energy: -161.221
flat angles P-C4'-P energy: -92.720
tors. eta vs tors. theta energy: -220.697
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: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2162.590150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.590150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.590150 (E_RNA)
where:
Base-Base interactions energy: -1502.282
where: short stacking energy: -639.808
Base-Backbone interact. energy: -4.351
local terms energy: -655.957608
where:
bonds (distance) C4'-P energy: -122.350
bonds (distance) P-C4' energy: -125.502
flat angles C4'-P-C4' energy: -144.769
flat angles P-C4'-P energy: -86.739
tors. eta vs tors. theta energy: -176.599
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: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1966.349291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.349291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.349291 (E_RNA)
where:
Base-Base interactions energy: -1349.524
where: short stacking energy: -585.910
Base-Backbone interact. energy: -0.397
local terms energy: -616.427661
where:
bonds (distance) C4'-P energy: -123.848
bonds (distance) P-C4' energy: -122.438
flat angles C4'-P-C4' energy: -127.567
flat angles P-C4'-P energy: -80.797
tors. eta vs tors. theta energy: -161.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2011.123913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.123913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.123913 (E_RNA)
where:
Base-Base interactions energy: -1358.881
where: short stacking energy: -581.949
Base-Backbone interact. energy: -0.264
local terms energy: -651.978859
where:
bonds (distance) C4'-P energy: -123.361
bonds (distance) P-C4' energy: -142.038
flat angles C4'-P-C4' energy: -137.693
flat angles P-C4'-P energy: -77.049
tors. eta vs tors. theta energy: -171.838
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: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1626.743752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.743752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.743752 (E_RNA)
where:
Base-Base interactions energy: -1059.879
where: short stacking energy: -477.487
Base-Backbone interact. energy: -0.557
local terms energy: -566.307800
where:
bonds (distance) C4'-P energy: -125.685
bonds (distance) P-C4' energy: -111.693
flat angles C4'-P-C4' energy: -131.183
flat angles P-C4'-P energy: -76.453
tors. eta vs tors. theta energy: -121.294
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: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1569.107763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.107763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.107763 (E_RNA)
where:
Base-Base interactions energy: -1061.403
where: short stacking energy: -460.285
Base-Backbone interact. energy: -1.309
local terms energy: -506.396436
where:
bonds (distance) C4'-P energy: -112.683
bonds (distance) P-C4' energy: -105.128
flat angles C4'-P-C4' energy: -114.659
flat angles P-C4'-P energy: -74.742
tors. eta vs tors. theta energy: -99.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1306.660053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.660053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.660053 (E_RNA)
where:
Base-Base interactions energy: -823.993
where: short stacking energy: -378.658
Base-Backbone interact. energy: -0.790
local terms energy: -481.876499
where:
bonds (distance) C4'-P energy: -112.874
bonds (distance) P-C4' energy: -107.676
flat angles C4'-P-C4' energy: -120.143
flat angles P-C4'-P energy: -63.477
tors. eta vs tors. theta energy: -77.707
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: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -938.896993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.896993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.896993 (E_RNA)
where:
Base-Base interactions energy: -525.707
where: short stacking energy: -266.430
Base-Backbone interact. energy: -1.950
local terms energy: -411.240741
where:
bonds (distance) C4'-P energy: -96.464
bonds (distance) P-C4' energy: -117.866
flat angles C4'-P-C4' energy: -117.702
flat angles P-C4'-P energy: -55.965
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -773.679965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.679965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.679965 (E_RNA)
where:
Base-Base interactions energy: -392.482
where: short stacking energy: -255.504
Base-Backbone interact. energy: -1.585
local terms energy: -379.613124
where:
bonds (distance) C4'-P energy: -90.416
bonds (distance) P-C4' energy: -118.822
flat angles C4'-P-C4' energy: -91.404
flat angles P-C4'-P energy: -56.532
tors. eta vs tors. theta energy: -22.439
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: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2303.455684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.455684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.455684 (E_RNA)
where:
Base-Base interactions energy: -1568.343
where: short stacking energy: -701.123
Base-Backbone interact. energy: 0.134
local terms energy: -735.246291
where:
bonds (distance) C4'-P energy: -143.442
bonds (distance) P-C4' energy: -132.525
flat angles C4'-P-C4' energy: -147.381
flat angles P-C4'-P energy: -115.876
tors. eta vs tors. theta energy: -196.022
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: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2244.216548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.216548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.216548 (E_RNA)
where:
Base-Base interactions energy: -1530.457
where: short stacking energy: -678.007
Base-Backbone interact. energy: 0.203
local terms energy: -713.963405
where:
bonds (distance) C4'-P energy: -128.258
bonds (distance) P-C4' energy: -135.180
flat angles C4'-P-C4' energy: -146.705
flat angles P-C4'-P energy: -93.357
tors. eta vs tors. theta energy: -210.463
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: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2181.050609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.050609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.050609 (E_RNA)
where:
Base-Base interactions energy: -1513.491
where: short stacking energy: -625.584
Base-Backbone interact. energy: -0.728
local terms energy: -666.831818
where:
bonds (distance) C4'-P energy: -122.251
bonds (distance) P-C4' energy: -125.406
flat angles C4'-P-C4' energy: -149.748
flat angles P-C4'-P energy: -84.589
tors. eta vs tors. theta energy: -184.839
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: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2068.388765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.388765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.388765 (E_RNA)
where:
Base-Base interactions energy: -1389.850
where: short stacking energy: -635.314
Base-Backbone interact. energy: -2.805
local terms energy: -675.732964
where:
bonds (distance) C4'-P energy: -122.253
bonds (distance) P-C4' energy: -135.741
flat angles C4'-P-C4' energy: -138.356
flat angles P-C4'-P energy: -95.082
tors. eta vs tors. theta energy: -184.300
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: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1919.986600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.986600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.986600 (E_RNA)
where:
Base-Base interactions energy: -1314.237
where: short stacking energy: -547.254
Base-Backbone interact. energy: -2.024
local terms energy: -603.725443
where:
bonds (distance) C4'-P energy: -112.440
bonds (distance) P-C4' energy: -131.183
flat angles C4'-P-C4' energy: -134.351
flat angles P-C4'-P energy: -73.526
tors. eta vs tors. theta energy: -152.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1669.588700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.588700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.588700 (E_RNA)
where:
Base-Base interactions energy: -1136.523
where: short stacking energy: -486.625
Base-Backbone interact. energy: -1.532
local terms energy: -531.534009
where:
bonds (distance) C4'-P energy: -124.078
bonds (distance) P-C4' energy: -102.448
flat angles C4'-P-C4' energy: -127.353
flat angles P-C4'-P energy: -70.407
tors. eta vs tors. theta energy: -107.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1585.569448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.569448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.569448 (E_RNA)
where:
Base-Base interactions energy: -1015.286
where: short stacking energy: -473.334
Base-Backbone interact. energy: -0.815
local terms energy: -569.469002
where:
bonds (distance) C4'-P energy: -107.771
bonds (distance) P-C4' energy: -120.806
flat angles C4'-P-C4' energy: -134.971
flat angles P-C4'-P energy: -72.507
tors. eta vs tors. theta energy: -133.414
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: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1290.762292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.762292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.762292 (E_RNA)
where:
Base-Base interactions energy: -819.953
where: short stacking energy: -383.819
Base-Backbone interact. energy: -2.269
local terms energy: -468.540162
where:
bonds (distance) C4'-P energy: -97.129
bonds (distance) P-C4' energy: -102.732
flat angles C4'-P-C4' energy: -110.098
flat angles P-C4'-P energy: -78.031
tors. eta vs tors. theta energy: -80.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -959.764343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.764343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.764343 (E_RNA)
where:
Base-Base interactions energy: -555.793
where: short stacking energy: -282.842
Base-Backbone interact. energy: 1.349
local terms energy: -405.320094
where:
bonds (distance) C4'-P energy: -107.259
bonds (distance) P-C4' energy: -105.792
flat angles C4'-P-C4' energy: -119.648
flat angles P-C4'-P energy: -54.134
tors. eta vs tors. theta energy: -18.486
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: 233
Temperature: 1.350000
Total energy: -729.606867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.606867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.606867 (E_RNA)
where:
Base-Base interactions energy: -355.557
where: short stacking energy: -172.770
Base-Backbone interact. energy: 3.090
local terms energy: -377.139851
where:
bonds (distance) C4'-P energy: -108.439
bonds (distance) P-C4' energy: -116.825
flat angles C4'-P-C4' energy: -96.929
flat angles P-C4'-P energy: -56.568
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: 1, replica: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2296.786993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.786993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.786993 (E_RNA)
where:
Base-Base interactions energy: -1578.334
where: short stacking energy: -698.238
Base-Backbone interact. energy: 0.286
local terms energy: -718.739261
where:
bonds (distance) C4'-P energy: -136.150
bonds (distance) P-C4' energy: -121.184
flat angles C4'-P-C4' energy: -139.258
flat angles P-C4'-P energy: -107.215
tors. eta vs tors. theta energy: -214.932
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: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2254.565487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.565487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.565487 (E_RNA)
where:
Base-Base interactions energy: -1535.934
where: short stacking energy: -691.689
Base-Backbone interact. energy: -0.982
local terms energy: -717.649009
where:
bonds (distance) C4'-P energy: -130.223
bonds (distance) P-C4' energy: -134.220
flat angles C4'-P-C4' energy: -149.829
flat angles P-C4'-P energy: -94.221
tors. eta vs tors. theta energy: -209.156
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: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2151.764564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.764564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.764564 (E_RNA)
where:
Base-Base interactions energy: -1458.626
where: short stacking energy: -622.354
Base-Backbone interact. energy: -1.520
local terms energy: -691.618615
where:
bonds (distance) C4'-P energy: -134.775
bonds (distance) P-C4' energy: -146.542
flat angles C4'-P-C4' energy: -134.030
flat angles P-C4'-P energy: -97.921
tors. eta vs tors. theta energy: -178.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2049.883235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.883235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.883235 (E_RNA)
where:
Base-Base interactions energy: -1376.168
where: short stacking energy: -609.742
Base-Backbone interact. energy: 0.971
local terms energy: -674.685775
where:
bonds (distance) C4'-P energy: -124.996
bonds (distance) P-C4' energy: -130.036
flat angles C4'-P-C4' energy: -143.297
flat angles P-C4'-P energy: -92.302
tors. eta vs tors. theta energy: -184.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1925.329213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.329213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.329213 (E_RNA)
where:
Base-Base interactions energy: -1317.798
where: short stacking energy: -538.242
Base-Backbone interact. energy: 3.816
local terms energy: -611.347180
where:
bonds (distance) C4'-P energy: -121.430
bonds (distance) P-C4' energy: -124.615
flat angles C4'-P-C4' energy: -126.221
flat angles P-C4'-P energy: -89.031
tors. eta vs tors. theta energy: -150.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1708.704414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.704414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.704414 (E_RNA)
where:
Base-Base interactions energy: -1162.308
where: short stacking energy: -508.756
Base-Backbone interact. energy: 6.136
local terms energy: -552.531764
where:
bonds (distance) C4'-P energy: -107.849
bonds (distance) P-C4' energy: -118.314
flat angles C4'-P-C4' energy: -118.682
flat angles P-C4'-P energy: -73.406
tors. eta vs tors. theta energy: -134.280
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: 234
Temperature: 1.200000
Total energy: -1551.816230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.816230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.816230 (E_RNA)
where:
Base-Base interactions energy: -1029.645
where: short stacking energy: -467.439
Base-Backbone interact. energy: -2.056
local terms energy: -520.114911
where:
bonds (distance) C4'-P energy: -117.500
bonds (distance) P-C4' energy: -105.260
flat angles C4'-P-C4' energy: -109.327
flat angles P-C4'-P energy: -70.551
tors. eta vs tors. theta energy: -117.477
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: 234
Temperature: 1.250000
Total energy: -1315.080896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.080896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.080896 (E_RNA)
where:
Base-Base interactions energy: -835.180
where: short stacking energy: -377.343
Base-Backbone interact. energy: -0.864
local terms energy: -479.037258
where:
bonds (distance) C4'-P energy: -109.119
bonds (distance) P-C4' energy: -115.425
flat angles C4'-P-C4' energy: -108.021
flat angles P-C4'-P energy: -67.415
tors. eta vs tors. theta energy: -79.057
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: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -945.682969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.682969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.682969 (E_RNA)
where:
Base-Base interactions energy: -540.148
where: short stacking energy: -275.477
Base-Backbone interact. energy: -1.169
local terms energy: -404.366785
where:
bonds (distance) C4'-P energy: -103.256
bonds (distance) P-C4' energy: -113.987
flat angles C4'-P-C4' energy: -98.975
flat angles P-C4'-P energy: -59.459
tors. eta vs tors. theta energy: -28.689
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: 234
Temperature: 1.350000
Total energy: -813.839972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.839972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.839972 (E_RNA)
where:
Base-Base interactions energy: -441.593
where: short stacking energy: -223.193
Base-Backbone interact. energy: -0.274
local terms energy: -371.973829
where:
bonds (distance) C4'-P energy: -119.526
bonds (distance) P-C4' energy: -108.955
flat angles C4'-P-C4' energy: -82.942
flat angles P-C4'-P energy: -50.904
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2337.472592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.472592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.472592 (E_RNA)
where:
Base-Base interactions energy: -1592.682
where: short stacking energy: -719.366
Base-Backbone interact. energy: -1.929
local terms energy: -742.861593
where:
bonds (distance) C4'-P energy: -128.675
bonds (distance) P-C4' energy: -136.790
flat angles C4'-P-C4' energy: -153.761
flat angles P-C4'-P energy: -105.084
tors. eta vs tors. theta energy: -218.552
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: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2238.637269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.637269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.637269 (E_RNA)
where:
Base-Base interactions energy: -1539.173
where: short stacking energy: -672.550
Base-Backbone interact. energy: 0.127
local terms energy: -699.591800
where:
bonds (distance) C4'-P energy: -127.477
bonds (distance) P-C4' energy: -128.889
flat angles C4'-P-C4' energy: -145.801
flat angles P-C4'-P energy: -89.612
tors. eta vs tors. theta energy: -207.812
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: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2140.415369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.415369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.415369 (E_RNA)
where:
Base-Base interactions energy: -1472.855
where: short stacking energy: -632.849
Base-Backbone interact. energy: -2.684
local terms energy: -664.876023
where:
bonds (distance) C4'-P energy: -127.337
bonds (distance) P-C4' energy: -129.972
flat angles C4'-P-C4' energy: -145.453
flat angles P-C4'-P energy: -92.485
tors. eta vs tors. theta energy: -169.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1998.555980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.555980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.555980 (E_RNA)
where:
Base-Base interactions energy: -1355.981
where: short stacking energy: -625.385
Base-Backbone interact. energy: -1.259
local terms energy: -641.315739
where:
bonds (distance) C4'-P energy: -106.422
bonds (distance) P-C4' energy: -120.818
flat angles C4'-P-C4' energy: -135.159
flat angles P-C4'-P energy: -94.302
tors. eta vs tors. theta energy: -184.616
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: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1871.689882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.689882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.689882 (E_RNA)
where:
Base-Base interactions energy: -1273.658
where: short stacking energy: -541.464
Base-Backbone interact. energy: 1.840
local terms energy: -599.871896
where:
bonds (distance) C4'-P energy: -111.507
bonds (distance) P-C4' energy: -138.234
flat angles C4'-P-C4' energy: -128.120
flat angles P-C4'-P energy: -81.617
tors. eta vs tors. theta energy: -140.393
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: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1650.144461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.144461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.144461 (E_RNA)
where:
Base-Base interactions energy: -1109.837
where: short stacking energy: -489.794
Base-Backbone interact. energy: 5.672
local terms energy: -545.978638
where:
bonds (distance) C4'-P energy: -115.280
bonds (distance) P-C4' energy: -111.766
flat angles C4'-P-C4' energy: -119.589
flat angles P-C4'-P energy: -77.783
tors. eta vs tors. theta energy: -121.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1584.613162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.613162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.613162 (E_RNA)
where:
Base-Base interactions energy: -1069.083
where: short stacking energy: -466.605
Base-Backbone interact. energy: -0.729
local terms energy: -514.800668
where:
bonds (distance) C4'-P energy: -115.497
bonds (distance) P-C4' energy: -94.700
flat angles C4'-P-C4' energy: -108.421
flat angles P-C4'-P energy: -76.473
tors. eta vs tors. theta energy: -119.710
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: 235
Temperature: 1.250000
Total energy: -1328.446553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.446553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.446553 (E_RNA)
where:
Base-Base interactions energy: -821.099
where: short stacking energy: -368.431
Base-Backbone interact. energy: -2.969
local terms energy: -504.378925
where:
bonds (distance) C4'-P energy: -111.537
bonds (distance) P-C4' energy: -121.586
flat angles C4'-P-C4' energy: -123.597
flat angles P-C4'-P energy: -72.376
tors. eta vs tors. theta energy: -75.283
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: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -943.058310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.058310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.058310 (E_RNA)
where:
Base-Base interactions energy: -520.364
where: short stacking energy: -269.850
Base-Backbone interact. energy: 1.304
local terms energy: -423.997795
where:
bonds (distance) C4'-P energy: -106.176
bonds (distance) P-C4' energy: -116.365
flat angles C4'-P-C4' energy: -107.325
flat angles P-C4'-P energy: -66.737
tors. eta vs tors. theta energy: -27.394
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: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -858.099407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.099407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.099407 (E_RNA)
where:
Base-Base interactions energy: -459.217
where: short stacking energy: -245.389
Base-Backbone interact. energy: 1.010
local terms energy: -399.892540
where:
bonds (distance) C4'-P energy: -106.799
bonds (distance) P-C4' energy: -114.383
flat angles C4'-P-C4' energy: -92.707
flat angles P-C4'-P energy: -61.008
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2302.745705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.745705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.745705 (E_RNA)
where:
Base-Base interactions energy: -1572.932
where: short stacking energy: -712.064
Base-Backbone interact. energy: 0.728
local terms energy: -730.542019
where:
bonds (distance) C4'-P energy: -115.098
bonds (distance) P-C4' energy: -131.340
flat angles C4'-P-C4' energy: -149.928
flat angles P-C4'-P energy: -109.390
tors. eta vs tors. theta energy: -224.786
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: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2251.789986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.789986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.789986 (E_RNA)
where:
Base-Base interactions energy: -1538.233
where: short stacking energy: -668.935
Base-Backbone interact. energy: 0.082
local terms energy: -713.638640
where:
bonds (distance) C4'-P energy: -136.418
bonds (distance) P-C4' energy: -140.198
flat angles C4'-P-C4' energy: -144.986
flat angles P-C4'-P energy: -93.129
tors. eta vs tors. theta energy: -198.907
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: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2164.877419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.877419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.877419 (E_RNA)
where:
Base-Base interactions energy: -1521.612
where: short stacking energy: -646.510
Base-Backbone interact. energy: -2.374
local terms energy: -640.892051
where:
bonds (distance) C4'-P energy: -106.471
bonds (distance) P-C4' energy: -134.713
flat angles C4'-P-C4' energy: -149.569
flat angles P-C4'-P energy: -77.056
tors. eta vs tors. theta energy: -173.083
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: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2043.616086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.616086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.616086 (E_RNA)
where:
Base-Base interactions energy: -1401.677
where: short stacking energy: -602.707
Base-Backbone interact. energy: -0.947
local terms energy: -640.991710
where:
bonds (distance) C4'-P energy: -114.219
bonds (distance) P-C4' energy: -106.665
flat angles C4'-P-C4' energy: -137.492
flat angles P-C4'-P energy: -101.538
tors. eta vs tors. theta energy: -181.078
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: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1854.144281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.144281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.144281 (E_RNA)
where:
Base-Base interactions energy: -1252.906
where: short stacking energy: -533.860
Base-Backbone interact. energy: 6.410
local terms energy: -607.648484
where:
bonds (distance) C4'-P energy: -120.174
bonds (distance) P-C4' energy: -138.205
flat angles C4'-P-C4' energy: -136.662
flat angles P-C4'-P energy: -80.072
tors. eta vs tors. theta energy: -132.536
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: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1673.321765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.321765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.321765 (E_RNA)
where:
Base-Base interactions energy: -1101.350
where: short stacking energy: -459.803
Base-Backbone interact. energy: -2.686
local terms energy: -569.286021
where:
bonds (distance) C4'-P energy: -114.149
bonds (distance) P-C4' energy: -114.485
flat angles C4'-P-C4' energy: -127.509
flat angles P-C4'-P energy: -84.869
tors. eta vs tors. theta energy: -128.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1560.249094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.249094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.249094 (E_RNA)
where:
Base-Base interactions energy: -1014.847
where: short stacking energy: -436.009
Base-Backbone interact. energy: -1.881
local terms energy: -543.520834
where:
bonds (distance) C4'-P energy: -113.171
bonds (distance) P-C4' energy: -107.079
flat angles C4'-P-C4' energy: -131.758
flat angles P-C4'-P energy: -89.703
tors. eta vs tors. theta energy: -101.810
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: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1328.716065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.716065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.716065 (E_RNA)
where:
Base-Base interactions energy: -863.847
where: short stacking energy: -385.884
Base-Backbone interact. energy: 6.099
local terms energy: -470.968107
where:
bonds (distance) C4'-P energy: -112.234
bonds (distance) P-C4' energy: -112.739
flat angles C4'-P-C4' energy: -116.731
flat angles P-C4'-P energy: -63.838
tors. eta vs tors. theta energy: -65.425
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: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -943.357604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.357604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.357604 (E_RNA)
where:
Base-Base interactions energy: -526.535
where: short stacking energy: -279.171
Base-Backbone interact. energy: 2.070
local terms energy: -418.892089
where:
bonds (distance) C4'-P energy: -108.491
bonds (distance) P-C4' energy: -103.506
flat angles C4'-P-C4' energy: -102.164
flat angles P-C4'-P energy: -71.106
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: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -781.752362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.752362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.752362 (E_RNA)
where:
Base-Base interactions energy: -404.864
where: short stacking energy: -237.828
Base-Backbone interact. energy: 3.609
local terms energy: -380.497518
where:
bonds (distance) C4'-P energy: -104.197
bonds (distance) P-C4' energy: -112.018
flat angles C4'-P-C4' energy: -98.833
flat angles P-C4'-P energy: -63.478
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2295.255532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.255532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.255532 (E_RNA)
where:
Base-Base interactions energy: -1547.574
where: short stacking energy: -689.635
Base-Backbone interact. energy: -2.860
local terms energy: -744.821011
where:
bonds (distance) C4'-P energy: -135.414
bonds (distance) P-C4' energy: -146.559
flat angles C4'-P-C4' energy: -158.747
flat angles P-C4'-P energy: -102.287
tors. eta vs tors. theta energy: -201.815
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: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2231.469599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.469599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.469599 (E_RNA)
where:
Base-Base interactions energy: -1536.750
where: short stacking energy: -662.656
Base-Backbone interact. energy: -1.960
local terms energy: -692.759497
where:
bonds (distance) C4'-P energy: -125.569
bonds (distance) P-C4' energy: -122.698
flat angles C4'-P-C4' energy: -150.083
flat angles P-C4'-P energy: -93.763
tors. eta vs tors. theta energy: -200.646
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: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2161.689671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.689671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.689671 (E_RNA)
where:
Base-Base interactions energy: -1496.519
where: short stacking energy: -646.125
Base-Backbone interact. energy: -1.820
local terms energy: -663.350564
where:
bonds (distance) C4'-P energy: -120.866
bonds (distance) P-C4' energy: -120.133
flat angles C4'-P-C4' energy: -155.487
flat angles P-C4'-P energy: -87.338
tors. eta vs tors. theta energy: -179.526
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: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2050.584686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.584686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.584686 (E_RNA)
where:
Base-Base interactions energy: -1405.277
where: short stacking energy: -615.252
Base-Backbone interact. energy: -3.559
local terms energy: -641.748299
where:
bonds (distance) C4'-P energy: -113.360
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -126.311
flat angles P-C4'-P energy: -103.221
tors. eta vs tors. theta energy: -186.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1814.921608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.921608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.921608 (E_RNA)
where:
Base-Base interactions energy: -1242.305
where: short stacking energy: -512.173
Base-Backbone interact. energy: 7.144
local terms energy: -579.759985
where:
bonds (distance) C4'-P energy: -109.670
bonds (distance) P-C4' energy: -120.441
flat angles C4'-P-C4' energy: -126.222
flat angles P-C4'-P energy: -81.677
tors. eta vs tors. theta energy: -141.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1618.862617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.862617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.862617 (E_RNA)
where:
Base-Base interactions energy: -1073.314
where: short stacking energy: -472.054
Base-Backbone interact. energy: 1.540
local terms energy: -547.088612
where:
bonds (distance) C4'-P energy: -110.813
bonds (distance) P-C4' energy: -126.913
flat angles C4'-P-C4' energy: -123.549
flat angles P-C4'-P energy: -73.732
tors. eta vs tors. theta energy: -112.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1576.831411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.831411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.831411 (E_RNA)
where:
Base-Base interactions energy: -1055.720
where: short stacking energy: -460.902
Base-Backbone interact. energy: -3.074
local terms energy: -518.037102
where:
bonds (distance) C4'-P energy: -82.090
bonds (distance) P-C4' energy: -108.497
flat angles C4'-P-C4' energy: -131.947
flat angles P-C4'-P energy: -77.733
tors. eta vs tors. theta energy: -117.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1310.847121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.847121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.847121 (E_RNA)
where:
Base-Base interactions energy: -841.700
where: short stacking energy: -368.357
Base-Backbone interact. energy: -0.164
local terms energy: -468.982771
where:
bonds (distance) C4'-P energy: -108.942
bonds (distance) P-C4' energy: -117.287
flat angles C4'-P-C4' energy: -118.768
flat angles P-C4'-P energy: -56.719
tors. eta vs tors. theta energy: -67.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -899.818553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.818553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.818553 (E_RNA)
where:
Base-Base interactions energy: -549.507
where: short stacking energy: -277.030
Base-Backbone interact. energy: 3.088
local terms energy: -353.399010
where:
bonds (distance) C4'-P energy: -89.264
bonds (distance) P-C4' energy: -106.647
flat angles C4'-P-C4' energy: -86.102
flat angles P-C4'-P energy: -54.085
tors. eta vs tors. theta energy: -17.301
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: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -767.099913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.099913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.099913 (E_RNA)
where:
Base-Base interactions energy: -402.851
where: short stacking energy: -227.101
Base-Backbone interact. energy: 0.659
local terms energy: -364.907762
where:
bonds (distance) C4'-P energy: -87.358
bonds (distance) P-C4' energy: -111.247
flat angles C4'-P-C4' energy: -100.906
flat angles P-C4'-P energy: -56.106
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2291.288542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.288542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.288542 (E_RNA)
where:
Base-Base interactions energy: -1538.311
where: short stacking energy: -683.438
Base-Backbone interact. energy: -1.594
local terms energy: -751.383509
where:
bonds (distance) C4'-P energy: -145.503
bonds (distance) P-C4' energy: -140.080
flat angles C4'-P-C4' energy: -152.525
flat angles P-C4'-P energy: -106.956
tors. eta vs tors. theta energy: -206.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2237.252647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.252647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.252647 (E_RNA)
where:
Base-Base interactions energy: -1535.008
where: short stacking energy: -663.011
Base-Backbone interact. energy: -2.016
local terms energy: -700.228801
where:
bonds (distance) C4'-P energy: -136.195
bonds (distance) P-C4' energy: -115.018
flat angles C4'-P-C4' energy: -148.554
flat angles P-C4'-P energy: -105.956
tors. eta vs tors. theta energy: -194.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2171.714254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.714254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.714254 (E_RNA)
where:
Base-Base interactions energy: -1483.188
where: short stacking energy: -614.674
Base-Backbone interact. energy: 1.534
local terms energy: -690.060783
where:
bonds (distance) C4'-P energy: -124.109
bonds (distance) P-C4' energy: -134.395
flat angles C4'-P-C4' energy: -153.299
flat angles P-C4'-P energy: -99.413
tors. eta vs tors. theta energy: -178.844
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: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2020.270535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.270535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.270535 (E_RNA)
where:
Base-Base interactions energy: -1351.034
where: short stacking energy: -602.903
Base-Backbone interact. energy: 0.668
local terms energy: -669.904287
where:
bonds (distance) C4'-P energy: -133.404
bonds (distance) P-C4' energy: -130.175
flat angles C4'-P-C4' energy: -149.769
flat angles P-C4'-P energy: -83.660
tors. eta vs tors. theta energy: -172.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1988.001719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.001719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.001719 (E_RNA)
where:
Base-Base interactions energy: -1404.192
where: short stacking energy: -582.199
Base-Backbone interact. energy: 1.799
local terms energy: -585.608778
where:
bonds (distance) C4'-P energy: -108.642
bonds (distance) P-C4' energy: -108.995
flat angles C4'-P-C4' energy: -137.383
flat angles P-C4'-P energy: -74.689
tors. eta vs tors. theta energy: -155.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1668.986326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.986326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.986326 (E_RNA)
where:
Base-Base interactions energy: -1125.429
where: short stacking energy: -517.973
Base-Backbone interact. energy: -5.102
local terms energy: -538.455411
where:
bonds (distance) C4'-P energy: -103.153
bonds (distance) P-C4' energy: -107.183
flat angles C4'-P-C4' energy: -125.508
flat angles P-C4'-P energy: -64.485
tors. eta vs tors. theta energy: -138.127
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: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1518.124089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.124089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.124089 (E_RNA)
where:
Base-Base interactions energy: -988.295
where: short stacking energy: -438.160
Base-Backbone interact. energy: -1.504
local terms energy: -528.325614
where:
bonds (distance) C4'-P energy: -111.621
bonds (distance) P-C4' energy: -118.454
flat angles C4'-P-C4' energy: -123.089
flat angles P-C4'-P energy: -74.859
tors. eta vs tors. theta energy: -100.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1373.909259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.909259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.909259 (E_RNA)
where:
Base-Base interactions energy: -917.598
where: short stacking energy: -426.831
Base-Backbone interact. energy: 2.787
local terms energy: -459.098310
where:
bonds (distance) C4'-P energy: -92.920
bonds (distance) P-C4' energy: -104.568
flat angles C4'-P-C4' energy: -97.497
flat angles P-C4'-P energy: -67.701
tors. eta vs tors. theta energy: -96.413
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: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -909.521810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.521810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.521810 (E_RNA)
where:
Base-Base interactions energy: -514.549
where: short stacking energy: -269.117
Base-Backbone interact. energy: -1.527
local terms energy: -393.446010
where:
bonds (distance) C4'-P energy: -104.101
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -97.527
flat angles P-C4'-P energy: -64.852
tors. eta vs tors. theta energy: -26.100
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: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -760.517149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.517149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.517149 (E_RNA)
where:
Base-Base interactions energy: -423.271
where: short stacking energy: -240.684
Base-Backbone interact. energy: -1.753
local terms energy: -335.493154
where:
bonds (distance) C4'-P energy: -94.120
bonds (distance) P-C4' energy: -96.280
flat angles C4'-P-C4' energy: -85.149
flat angles P-C4'-P energy: -63.147
tors. eta vs tors. theta energy: 3.202
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: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2284.760196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.760196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.760196 (E_RNA)
where:
Base-Base interactions energy: -1538.317
where: short stacking energy: -697.035
Base-Backbone interact. energy: 3.347
local terms energy: -749.790092
where:
bonds (distance) C4'-P energy: -128.032
bonds (distance) P-C4' energy: -140.683
flat angles C4'-P-C4' energy: -159.267
flat angles P-C4'-P energy: -113.942
tors. eta vs tors. theta energy: -207.866
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: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2242.063424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.063424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.063424 (E_RNA)
where:
Base-Base interactions energy: -1529.743
where: short stacking energy: -664.464
Base-Backbone interact. energy: -2.685
local terms energy: -709.635713
where:
bonds (distance) C4'-P energy: -114.448
bonds (distance) P-C4' energy: -141.197
flat angles C4'-P-C4' energy: -152.274
flat angles P-C4'-P energy: -100.041
tors. eta vs tors. theta energy: -201.676
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: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2154.062707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.062707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.062707 (E_RNA)
where:
Base-Base interactions energy: -1514.148
where: short stacking energy: -624.373
Base-Backbone interact. energy: -2.328
local terms energy: -637.586636
where:
bonds (distance) C4'-P energy: -104.373
bonds (distance) P-C4' energy: -122.790
flat angles C4'-P-C4' energy: -155.388
flat angles P-C4'-P energy: -98.017
tors. eta vs tors. theta energy: -157.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2011.329022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.329022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.329022 (E_RNA)
where:
Base-Base interactions energy: -1390.685
where: short stacking energy: -555.207
Base-Backbone interact. energy: -1.858
local terms energy: -618.785606
where:
bonds (distance) C4'-P energy: -105.331
bonds (distance) P-C4' energy: -118.644
flat angles C4'-P-C4' energy: -137.619
flat angles P-C4'-P energy: -96.323
tors. eta vs tors. theta energy: -160.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1976.967911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.967911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.967911 (E_RNA)
where:
Base-Base interactions energy: -1338.047
where: short stacking energy: -579.875
Base-Backbone interact. energy: -3.291
local terms energy: -635.629618
where:
bonds (distance) C4'-P energy: -121.336
bonds (distance) P-C4' energy: -115.787
flat angles C4'-P-C4' energy: -143.178
flat angles P-C4'-P energy: -84.887
tors. eta vs tors. theta energy: -170.441
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: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1652.682418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.682418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.682418 (E_RNA)
where:
Base-Base interactions energy: -1068.182
where: short stacking energy: -482.157
Base-Backbone interact. energy: 0.689
local terms energy: -585.189695
where:
bonds (distance) C4'-P energy: -113.932
bonds (distance) P-C4' energy: -120.764
flat angles C4'-P-C4' energy: -140.584
flat angles P-C4'-P energy: -73.363
tors. eta vs tors. theta energy: -136.546
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: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1579.162758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.162758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.162758 (E_RNA)
where:
Base-Base interactions energy: -1044.287
where: short stacking energy: -475.840
Base-Backbone interact. energy: -1.579
local terms energy: -533.296727
where:
bonds (distance) C4'-P energy: -110.860
bonds (distance) P-C4' energy: -118.456
flat angles C4'-P-C4' energy: -120.880
flat angles P-C4'-P energy: -62.638
tors. eta vs tors. theta energy: -120.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1275.515089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.515089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.515089 (E_RNA)
where:
Base-Base interactions energy: -820.871
where: short stacking energy: -379.127
Base-Backbone interact. energy: 1.210
local terms energy: -455.854663
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -114.901
flat angles C4'-P-C4' energy: -105.291
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -57.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -933.705103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.705103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.705103 (E_RNA)
where:
Base-Base interactions energy: -511.730
where: short stacking energy: -253.334
Base-Backbone interact. energy: -0.060
local terms energy: -421.914797
where:
bonds (distance) C4'-P energy: -120.624
bonds (distance) P-C4' energy: -117.855
flat angles C4'-P-C4' energy: -87.831
flat angles P-C4'-P energy: -61.004
tors. eta vs tors. theta energy: -34.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -789.383668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.383668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.383668 (E_RNA)
where:
Base-Base interactions energy: -433.346
where: short stacking energy: -229.497
Base-Backbone interact. energy: 0.657
local terms energy: -356.694066
where:
bonds (distance) C4'-P energy: -91.271
bonds (distance) P-C4' energy: -109.568
flat angles C4'-P-C4' energy: -97.631
flat angles P-C4'-P energy: -50.062
tors. eta vs tors. theta energy: -8.162
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: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2298.400777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.400777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.400777 (E_RNA)
where:
Base-Base interactions energy: -1567.735
where: short stacking energy: -715.409
Base-Backbone interact. energy: -2.005
local terms energy: -728.660651
where:
bonds (distance) C4'-P energy: -126.371
bonds (distance) P-C4' energy: -136.459
flat angles C4'-P-C4' energy: -154.459
flat angles P-C4'-P energy: -100.891
tors. eta vs tors. theta energy: -210.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2211.712066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.712066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.712066 (E_RNA)
where:
Base-Base interactions energy: -1494.827
where: short stacking energy: -633.399
Base-Backbone interact. energy: -1.507
local terms energy: -715.377978
where:
bonds (distance) C4'-P energy: -123.149
bonds (distance) P-C4' energy: -146.637
flat angles C4'-P-C4' energy: -157.456
flat angles P-C4'-P energy: -92.178
tors. eta vs tors. theta energy: -195.958
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: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2046.292204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.292204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.292204 (E_RNA)
where:
Base-Base interactions energy: -1415.703
where: short stacking energy: -587.558
Base-Backbone interact. energy: -2.157
local terms energy: -628.432433
where:
bonds (distance) C4'-P energy: -125.586
bonds (distance) P-C4' energy: -121.652
flat angles C4'-P-C4' energy: -138.872
flat angles P-C4'-P energy: -80.589
tors. eta vs tors. theta energy: -161.732
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: 4, replica: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2102.243007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.243007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.243007 (E_RNA)
where:
Base-Base interactions energy: -1471.824
where: short stacking energy: -584.861
Base-Backbone interact. energy: 4.047
local terms energy: -634.465522
where:
bonds (distance) C4'-P energy: -111.931
bonds (distance) P-C4' energy: -109.824
flat angles C4'-P-C4' energy: -139.306
flat angles P-C4'-P energy: -105.238
tors. eta vs tors. theta energy: -168.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1952.625911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.625911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.625911 (E_RNA)
where:
Base-Base interactions energy: -1330.616
where: short stacking energy: -567.847
Base-Backbone interact. energy: -2.808
local terms energy: -619.201466
where:
bonds (distance) C4'-P energy: -110.063
bonds (distance) P-C4' energy: -116.017
flat angles C4'-P-C4' energy: -131.859
flat angles P-C4'-P energy: -88.743
tors. eta vs tors. theta energy: -172.519
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: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1623.436447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.436447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.436447 (E_RNA)
where:
Base-Base interactions energy: -1041.986
where: short stacking energy: -484.341
Base-Backbone interact. energy: -1.987
local terms energy: -579.464394
where:
bonds (distance) C4'-P energy: -125.758
bonds (distance) P-C4' energy: -125.264
flat angles C4'-P-C4' energy: -124.352
flat angles P-C4'-P energy: -86.702
tors. eta vs tors. theta energy: -117.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1574.946167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.946167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.946167 (E_RNA)
where:
Base-Base interactions energy: -1041.814
where: short stacking energy: -455.495
Base-Backbone interact. energy: 5.945
local terms energy: -539.077124
where:
bonds (distance) C4'-P energy: -123.833
bonds (distance) P-C4' energy: -102.912
flat angles C4'-P-C4' energy: -115.866
flat angles P-C4'-P energy: -76.875
tors. eta vs tors. theta energy: -119.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1322.520284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.520284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.520284 (E_RNA)
where:
Base-Base interactions energy: -838.896
where: short stacking energy: -399.401
Base-Backbone interact. energy: -2.349
local terms energy: -481.275220
where:
bonds (distance) C4'-P energy: -119.059
bonds (distance) P-C4' energy: -113.280
flat angles C4'-P-C4' energy: -111.571
flat angles P-C4'-P energy: -63.005
tors. eta vs tors. theta energy: -74.361
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: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -917.349628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.349628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.349628 (E_RNA)
where:
Base-Base interactions energy: -524.400
where: short stacking energy: -232.713
Base-Backbone interact. energy: -4.084
local terms energy: -388.864765
where:
bonds (distance) C4'-P energy: -120.673
bonds (distance) P-C4' energy: -120.185
flat angles C4'-P-C4' energy: -80.783
flat angles P-C4'-P energy: -60.257
tors. eta vs tors. theta energy: -6.967
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: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -684.685321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.685321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.685321 (E_RNA)
where:
Base-Base interactions energy: -351.003
where: short stacking energy: -215.439
Base-Backbone interact. energy: 10.309
local terms energy: -343.991649
where:
bonds (distance) C4'-P energy: -93.276
bonds (distance) P-C4' energy: -111.187
flat angles C4'-P-C4' energy: -74.130
flat angles P-C4'-P energy: -53.320
tors. eta vs tors. theta energy: -12.078
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: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2297.338806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.338806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.338806 (E_RNA)
where:
Base-Base interactions energy: -1568.785
where: short stacking energy: -704.076
Base-Backbone interact. energy: -1.700
local terms energy: -726.853234
where:
bonds (distance) C4'-P energy: -131.999
bonds (distance) P-C4' energy: -123.215
flat angles C4'-P-C4' energy: -151.360
flat angles P-C4'-P energy: -114.895
tors. eta vs tors. theta energy: -205.384
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: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2231.335628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.335628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.335628 (E_RNA)
where:
Base-Base interactions energy: -1514.839
where: short stacking energy: -661.530
Base-Backbone interact. energy: -1.429
local terms energy: -715.067767
where:
bonds (distance) C4'-P energy: -120.172
bonds (distance) P-C4' energy: -137.104
flat angles C4'-P-C4' energy: -153.666
flat angles P-C4'-P energy: -107.818
tors. eta vs tors. theta energy: -196.307
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: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2056.740712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.740712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.740712 (E_RNA)
where:
Base-Base interactions energy: -1394.854
where: short stacking energy: -589.538
Base-Backbone interact. energy: -0.948
local terms energy: -660.937984
where:
bonds (distance) C4'-P energy: -131.534
bonds (distance) P-C4' energy: -132.766
flat angles C4'-P-C4' energy: -146.411
flat angles P-C4'-P energy: -93.637
tors. eta vs tors. theta energy: -156.590
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: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2126.691593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.691593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.691593 (E_RNA)
where:
Base-Base interactions energy: -1477.520
where: short stacking energy: -605.101
Base-Backbone interact. energy: -3.621
local terms energy: -645.549968
where:
bonds (distance) C4'-P energy: -123.652
bonds (distance) P-C4' energy: -114.221
flat angles C4'-P-C4' energy: -127.937
flat angles P-C4'-P energy: -100.236
tors. eta vs tors. theta energy: -179.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2014.732352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.732352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.732352 (E_RNA)
where:
Base-Base interactions energy: -1337.982
where: short stacking energy: -578.493
Base-Backbone interact. energy: 0.666
local terms energy: -677.416297
where:
bonds (distance) C4'-P energy: -141.087
bonds (distance) P-C4' energy: -131.931
flat angles C4'-P-C4' energy: -139.546
flat angles P-C4'-P energy: -95.699
tors. eta vs tors. theta energy: -169.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1627.639057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.639057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.639057 (E_RNA)
where:
Base-Base interactions energy: -1092.467
where: short stacking energy: -480.611
Base-Backbone interact. energy: 4.824
local terms energy: -539.996229
where:
bonds (distance) C4'-P energy: -118.498
bonds (distance) P-C4' energy: -107.465
flat angles C4'-P-C4' energy: -125.102
flat angles P-C4'-P energy: -79.853
tors. eta vs tors. theta energy: -109.079
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: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1565.493403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.493403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.493403 (E_RNA)
where:
Base-Base interactions energy: -1007.097
where: short stacking energy: -452.680
Base-Backbone interact. energy: -1.427
local terms energy: -556.968801
where:
bonds (distance) C4'-P energy: -129.661
bonds (distance) P-C4' energy: -124.122
flat angles C4'-P-C4' energy: -116.455
flat angles P-C4'-P energy: -76.090
tors. eta vs tors. theta energy: -110.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1264.574279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.574279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.574279 (E_RNA)
where:
Base-Base interactions energy: -787.248
where: short stacking energy: -348.841
Base-Backbone interact. energy: 1.135
local terms energy: -478.461965
where:
bonds (distance) C4'-P energy: -117.551
bonds (distance) P-C4' energy: -113.675
flat angles C4'-P-C4' energy: -117.981
flat angles P-C4'-P energy: -69.753
tors. eta vs tors. theta energy: -59.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -894.582519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.582519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.582519 (E_RNA)
where:
Base-Base interactions energy: -493.612
where: short stacking energy: -250.919
Base-Backbone interact. energy: -1.601
local terms energy: -399.369174
where:
bonds (distance) C4'-P energy: -98.968
bonds (distance) P-C4' energy: -105.066
flat angles C4'-P-C4' energy: -86.368
flat angles P-C4'-P energy: -61.160
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: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -690.108368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.108368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.108368 (E_RNA)
where:
Base-Base interactions energy: -316.803
where: short stacking energy: -190.807
Base-Backbone interact. energy: -1.425
local terms energy: -371.880668
where:
bonds (distance) C4'-P energy: -95.690
bonds (distance) P-C4' energy: -112.252
flat angles C4'-P-C4' energy: -105.470
flat angles P-C4'-P energy: -50.606
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2278.140780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.140780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.140780 (E_RNA)
where:
Base-Base interactions energy: -1551.874
where: short stacking energy: -688.016
Base-Backbone interact. energy: 1.616
local terms energy: -727.882876
where:
bonds (distance) C4'-P energy: -130.663
bonds (distance) P-C4' energy: -145.413
flat angles C4'-P-C4' energy: -154.180
flat angles P-C4'-P energy: -93.183
tors. eta vs tors. theta energy: -204.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2209.512597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.512597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.512597 (E_RNA)
where:
Base-Base interactions energy: -1511.322
where: short stacking energy: -653.626
Base-Backbone interact. energy: -1.005
local terms energy: -697.185725
where:
bonds (distance) C4'-P energy: -137.071
bonds (distance) P-C4' energy: -105.146
flat angles C4'-P-C4' energy: -143.518
flat angles P-C4'-P energy: -109.420
tors. eta vs tors. theta energy: -202.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2131.897465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.897465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.897465 (E_RNA)
where:
Base-Base interactions energy: -1466.274
where: short stacking energy: -625.220
Base-Backbone interact. energy: -3.492
local terms energy: -662.131167
where:
bonds (distance) C4'-P energy: -115.333
bonds (distance) P-C4' energy: -130.787
flat angles C4'-P-C4' energy: -148.867
flat angles P-C4'-P energy: -85.993
tors. eta vs tors. theta energy: -181.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2020.421433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.421433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.421433 (E_RNA)
where:
Base-Base interactions energy: -1379.878
where: short stacking energy: -582.926
Base-Backbone interact. energy: -3.567
local terms energy: -636.976970
where:
bonds (distance) C4'-P energy: -109.517
bonds (distance) P-C4' energy: -122.441
flat angles C4'-P-C4' energy: -147.687
flat angles P-C4'-P energy: -89.580
tors. eta vs tors. theta energy: -167.751
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: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2001.748656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.748656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.748656 (E_RNA)
where:
Base-Base interactions energy: -1367.465
where: short stacking energy: -584.984
Base-Backbone interact. energy: 1.330
local terms energy: -635.613505
where:
bonds (distance) C4'-P energy: -95.850
bonds (distance) P-C4' energy: -130.495
flat angles C4'-P-C4' energy: -141.069
flat angles P-C4'-P energy: -88.787
tors. eta vs tors. theta energy: -179.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1706.473240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.473240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.473240 (E_RNA)
where:
Base-Base interactions energy: -1156.190
where: short stacking energy: -523.376
Base-Backbone interact. energy: -4.468
local terms energy: -545.815223
where:
bonds (distance) C4'-P energy: -123.997
bonds (distance) P-C4' energy: -88.197
flat angles C4'-P-C4' energy: -123.001
flat angles P-C4'-P energy: -82.476
tors. eta vs tors. theta energy: -128.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1595.993352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.993352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.993352 (E_RNA)
where:
Base-Base interactions energy: -1052.199
where: short stacking energy: -466.691
Base-Backbone interact. energy: 0.499
local terms energy: -544.293250
where:
bonds (distance) C4'-P energy: -98.592
bonds (distance) P-C4' energy: -117.355
flat angles C4'-P-C4' energy: -125.293
flat angles P-C4'-P energy: -82.435
tors. eta vs tors. theta energy: -120.619
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: 242
Temperature: 1.250000
Total energy: -1289.965344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.965344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.965344 (E_RNA)
where:
Base-Base interactions energy: -833.422
where: short stacking energy: -376.911
Base-Backbone interact. energy: -3.744
local terms energy: -452.799224
where:
bonds (distance) C4'-P energy: -103.061
bonds (distance) P-C4' energy: -98.202
flat angles C4'-P-C4' energy: -112.960
flat angles P-C4'-P energy: -76.471
tors. eta vs tors. theta energy: -62.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -913.256973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.256973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.256973 (E_RNA)
where:
Base-Base interactions energy: -515.259
where: short stacking energy: -247.627
Base-Backbone interact. energy: -1.685
local terms energy: -396.312417
where:
bonds (distance) C4'-P energy: -103.623
bonds (distance) P-C4' energy: -112.621
flat angles C4'-P-C4' energy: -110.770
flat angles P-C4'-P energy: -56.722
tors. eta vs tors. theta energy: -12.577
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: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -766.364841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.364841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.364841 (E_RNA)
where:
Base-Base interactions energy: -389.699
where: short stacking energy: -197.685
Base-Backbone interact. energy: 3.633
local terms energy: -380.298618
where:
bonds (distance) C4'-P energy: -98.858
bonds (distance) P-C4' energy: -126.264
flat angles C4'-P-C4' energy: -91.276
flat angles P-C4'-P energy: -60.583
tors. eta vs tors. theta energy: -3.317
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: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2295.030096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.030096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.030096 (E_RNA)
where:
Base-Base interactions energy: -1568.221
where: short stacking energy: -679.389
Base-Backbone interact. energy: -2.759
local terms energy: -724.050703
where:
bonds (distance) C4'-P energy: -121.718
bonds (distance) P-C4' energy: -141.458
flat angles C4'-P-C4' energy: -153.339
flat angles P-C4'-P energy: -112.197
tors. eta vs tors. theta energy: -195.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2205.669011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.669011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.669011 (E_RNA)
where:
Base-Base interactions energy: -1517.265
where: short stacking energy: -671.542
Base-Backbone interact. energy: -0.176
local terms energy: -688.227908
where:
bonds (distance) C4'-P energy: -125.152
bonds (distance) P-C4' energy: -118.629
flat angles C4'-P-C4' energy: -147.325
flat angles P-C4'-P energy: -93.756
tors. eta vs tors. theta energy: -203.365
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: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2121.670874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.670874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.670874 (E_RNA)
where:
Base-Base interactions energy: -1451.130
where: short stacking energy: -603.064
Base-Backbone interact. energy: -3.039
local terms energy: -667.501244
where:
bonds (distance) C4'-P energy: -125.486
bonds (distance) P-C4' energy: -136.555
flat angles C4'-P-C4' energy: -133.728
flat angles P-C4'-P energy: -94.346
tors. eta vs tors. theta energy: -177.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2043.762349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.762349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.762349 (E_RNA)
where:
Base-Base interactions energy: -1387.324
where: short stacking energy: -609.552
Base-Backbone interact. energy: -2.351
local terms energy: -654.087491
where:
bonds (distance) C4'-P energy: -125.855
bonds (distance) P-C4' energy: -133.597
flat angles C4'-P-C4' energy: -132.042
flat angles P-C4'-P energy: -79.292
tors. eta vs tors. theta energy: -183.302
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: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1919.747897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.747897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.747897 (E_RNA)
where:
Base-Base interactions energy: -1297.118
where: short stacking energy: -544.501
Base-Backbone interact. energy: -1.305
local terms energy: -621.324024
where:
bonds (distance) C4'-P energy: -117.801
bonds (distance) P-C4' energy: -131.249
flat angles C4'-P-C4' energy: -141.061
flat angles P-C4'-P energy: -77.100
tors. eta vs tors. theta energy: -154.112
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: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1646.776286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.776286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.776286 (E_RNA)
where:
Base-Base interactions energy: -1078.411
where: short stacking energy: -501.923
Base-Backbone interact. energy: 0.067
local terms energy: -568.432054
where:
bonds (distance) C4'-P energy: -114.466
bonds (distance) P-C4' energy: -101.536
flat angles C4'-P-C4' energy: -134.201
flat angles P-C4'-P energy: -86.743
tors. eta vs tors. theta energy: -131.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1648.913584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.913584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.913584 (E_RNA)
where:
Base-Base interactions energy: -1100.636
where: short stacking energy: -500.076
Base-Backbone interact. energy: 0.615
local terms energy: -548.892570
where:
bonds (distance) C4'-P energy: -109.482
bonds (distance) P-C4' energy: -112.328
flat angles C4'-P-C4' energy: -115.877
flat angles P-C4'-P energy: -76.278
tors. eta vs tors. theta energy: -134.928
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: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1225.952078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.952078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.952078 (E_RNA)
where:
Base-Base interactions energy: -775.420
where: short stacking energy: -344.331
Base-Backbone interact. energy: -2.268
local terms energy: -448.263979
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -111.086
flat angles C4'-P-C4' energy: -106.699
flat angles P-C4'-P energy: -72.651
tors. eta vs tors. theta energy: -58.607
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: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -944.409935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.409935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.409935 (E_RNA)
where:
Base-Base interactions energy: -549.730
where: short stacking energy: -267.991
Base-Backbone interact. energy: -2.251
local terms energy: -392.428538
where:
bonds (distance) C4'-P energy: -98.055
bonds (distance) P-C4' energy: -105.181
flat angles C4'-P-C4' energy: -99.904
flat angles P-C4'-P energy: -54.436
tors. eta vs tors. theta energy: -34.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -780.573945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.573945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.573945 (E_RNA)
where:
Base-Base interactions energy: -450.044
where: short stacking energy: -209.550
Base-Backbone interact. energy: -4.031
local terms energy: -326.498288
where:
bonds (distance) C4'-P energy: -106.510
bonds (distance) P-C4' energy: -109.092
flat angles C4'-P-C4' energy: -84.674
flat angles P-C4'-P energy: -31.720
tors. eta vs tors. theta energy: 5.498
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: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2320.354781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.354781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.354781 (E_RNA)
where:
Base-Base interactions energy: -1592.415
where: short stacking energy: -679.376
Base-Backbone interact. energy: -2.198
local terms energy: -725.741985
where:
bonds (distance) C4'-P energy: -133.189
bonds (distance) P-C4' energy: -134.980
flat angles C4'-P-C4' energy: -155.745
flat angles P-C4'-P energy: -108.305
tors. eta vs tors. theta energy: -193.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2201.556297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.556297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.556297 (E_RNA)
where:
Base-Base interactions energy: -1487.905
where: short stacking energy: -651.942
Base-Backbone interact. energy: -3.007
local terms energy: -710.644115
where:
bonds (distance) C4'-P energy: -129.894
bonds (distance) P-C4' energy: -141.069
flat angles C4'-P-C4' energy: -146.163
flat angles P-C4'-P energy: -96.333
tors. eta vs tors. theta energy: -197.186
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: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2094.749337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.749337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.749337 (E_RNA)
where:
Base-Base interactions energy: -1446.343
where: short stacking energy: -585.035
Base-Backbone interact. energy: 2.919
local terms energy: -651.324673
where:
bonds (distance) C4'-P energy: -119.031
bonds (distance) P-C4' energy: -119.083
flat angles C4'-P-C4' energy: -147.190
flat angles P-C4'-P energy: -91.606
tors. eta vs tors. theta energy: -174.415
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: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2064.970678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.970678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.970678 (E_RNA)
where:
Base-Base interactions energy: -1393.941
where: short stacking energy: -628.766
Base-Backbone interact. energy: -2.530
local terms energy: -668.499216
where:
bonds (distance) C4'-P energy: -117.538
bonds (distance) P-C4' energy: -127.072
flat angles C4'-P-C4' energy: -135.091
flat angles P-C4'-P energy: -97.380
tors. eta vs tors. theta energy: -191.418
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: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1947.853600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.853600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.853600 (E_RNA)
where:
Base-Base interactions energy: -1349.353
where: short stacking energy: -577.693
Base-Backbone interact. energy: -1.636
local terms energy: -596.863688
where:
bonds (distance) C4'-P energy: -112.514
bonds (distance) P-C4' energy: -105.138
flat angles C4'-P-C4' energy: -132.567
flat angles P-C4'-P energy: -88.067
tors. eta vs tors. theta energy: -158.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1723.343922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.343922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.343922 (E_RNA)
where:
Base-Base interactions energy: -1130.787
where: short stacking energy: -488.716
Base-Backbone interact. energy: -1.731
local terms energy: -590.826211
where:
bonds (distance) C4'-P energy: -119.946
bonds (distance) P-C4' energy: -104.585
flat angles C4'-P-C4' energy: -135.411
flat angles P-C4'-P energy: -89.656
tors. eta vs tors. theta energy: -141.228
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: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1677.902992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.902992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.902992 (E_RNA)
where:
Base-Base interactions energy: -1098.402
where: short stacking energy: -494.833
Base-Backbone interact. energy: 2.253
local terms energy: -581.754491
where:
bonds (distance) C4'-P energy: -105.135
bonds (distance) P-C4' energy: -122.950
flat angles C4'-P-C4' energy: -124.780
flat angles P-C4'-P energy: -88.305
tors. eta vs tors. theta energy: -140.583
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: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1310.397102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.397102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.397102 (E_RNA)
where:
Base-Base interactions energy: -865.904
where: short stacking energy: -384.264
Base-Backbone interact. energy: -2.606
local terms energy: -441.887136
where:
bonds (distance) C4'-P energy: -104.231
bonds (distance) P-C4' energy: -99.220
flat angles C4'-P-C4' energy: -96.797
flat angles P-C4'-P energy: -68.571
tors. eta vs tors. theta energy: -73.067
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: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -926.887651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.887651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.887651 (E_RNA)
where:
Base-Base interactions energy: -548.383
where: short stacking energy: -259.841
Base-Backbone interact. energy: 0.013
local terms energy: -378.517413
where:
bonds (distance) C4'-P energy: -92.712
bonds (distance) P-C4' energy: -98.789
flat angles C4'-P-C4' energy: -110.997
flat angles P-C4'-P energy: -61.327
tors. eta vs tors. theta energy: -14.693
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: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -740.414516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.414516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.414516 (E_RNA)
where:
Base-Base interactions energy: -343.115
where: short stacking energy: -177.041
Base-Backbone interact. energy: 3.190
local terms energy: -400.489911
where:
bonds (distance) C4'-P energy: -90.412
bonds (distance) P-C4' energy: -127.252
flat angles C4'-P-C4' energy: -114.472
flat angles P-C4'-P energy: -63.562
tors. eta vs tors. theta energy: -4.792
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: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2285.559073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.559073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.559073 (E_RNA)
where:
Base-Base interactions energy: -1573.888
where: short stacking energy: -676.877
Base-Backbone interact. energy: -0.016
local terms energy: -711.655127
where:
bonds (distance) C4'-P energy: -140.826
bonds (distance) P-C4' energy: -119.378
flat angles C4'-P-C4' energy: -153.238
flat angles P-C4'-P energy: -96.377
tors. eta vs tors. theta energy: -201.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2197.176073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.176073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.176073 (E_RNA)
where:
Base-Base interactions energy: -1491.804
where: short stacking energy: -658.963
Base-Backbone interact. energy: -3.881
local terms energy: -701.490832
where:
bonds (distance) C4'-P energy: -122.613
bonds (distance) P-C4' energy: -125.475
flat angles C4'-P-C4' energy: -142.983
flat angles P-C4'-P energy: -108.601
tors. eta vs tors. theta energy: -201.819
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: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2109.278831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.278831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.278831 (E_RNA)
where:
Base-Base interactions energy: -1475.855
where: short stacking energy: -615.423
Base-Backbone interact. energy: -0.432
local terms energy: -632.991560
where:
bonds (distance) C4'-P energy: -108.048
bonds (distance) P-C4' energy: -127.993
flat angles C4'-P-C4' energy: -132.875
flat angles P-C4'-P energy: -87.035
tors. eta vs tors. theta energy: -177.040
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: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2022.070762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.070762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.070762 (E_RNA)
where:
Base-Base interactions energy: -1358.738
where: short stacking energy: -592.864
Base-Backbone interact. energy: -0.690
local terms energy: -662.642170
where:
bonds (distance) C4'-P energy: -126.654
bonds (distance) P-C4' energy: -116.576
flat angles C4'-P-C4' energy: -142.193
flat angles P-C4'-P energy: -85.247
tors. eta vs tors. theta energy: -191.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1909.134541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.134541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.134541 (E_RNA)
where:
Base-Base interactions energy: -1282.647
where: short stacking energy: -535.320
Base-Backbone interact. energy: -0.069
local terms energy: -626.418117
where:
bonds (distance) C4'-P energy: -129.214
bonds (distance) P-C4' energy: -121.787
flat angles C4'-P-C4' energy: -138.968
flat angles P-C4'-P energy: -80.519
tors. eta vs tors. theta energy: -155.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1699.129112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.129112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.129112 (E_RNA)
where:
Base-Base interactions energy: -1145.306
where: short stacking energy: -494.998
Base-Backbone interact. energy: -2.284
local terms energy: -551.538642
where:
bonds (distance) C4'-P energy: -109.530
bonds (distance) P-C4' energy: -104.455
flat angles C4'-P-C4' energy: -125.562
flat angles P-C4'-P energy: -87.798
tors. eta vs tors. theta energy: -124.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1651.045040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.045040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.045040 (E_RNA)
where:
Base-Base interactions energy: -1109.713
where: short stacking energy: -492.810
Base-Backbone interact. energy: 2.845
local terms energy: -544.176810
where:
bonds (distance) C4'-P energy: -111.870
bonds (distance) P-C4' energy: -116.446
flat angles C4'-P-C4' energy: -116.606
flat angles P-C4'-P energy: -59.760
tors. eta vs tors. theta energy: -139.496
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: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1325.299894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.299894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.299894 (E_RNA)
where:
Base-Base interactions energy: -843.981
where: short stacking energy: -384.714
Base-Backbone interact. energy: -0.341
local terms energy: -480.977607
where:
bonds (distance) C4'-P energy: -101.990
bonds (distance) P-C4' energy: -117.603
flat angles C4'-P-C4' energy: -115.345
flat angles P-C4'-P energy: -67.118
tors. eta vs tors. theta energy: -78.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -860.035807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.035807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.035807 (E_RNA)
where:
Base-Base interactions energy: -455.092
where: short stacking energy: -229.008
Base-Backbone interact. energy: 2.383
local terms energy: -407.327012
where:
bonds (distance) C4'-P energy: -97.042
bonds (distance) P-C4' energy: -106.749
flat angles C4'-P-C4' energy: -103.544
flat angles P-C4'-P energy: -72.977
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -702.563854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.563854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.563854 (E_RNA)
where:
Base-Base interactions energy: -322.272
where: short stacking energy: -168.558
Base-Backbone interact. energy: 1.075
local terms energy: -381.367095
where:
bonds (distance) C4'-P energy: -106.558
bonds (distance) P-C4' energy: -107.213
flat angles C4'-P-C4' energy: -103.977
flat angles P-C4'-P energy: -61.371
tors. eta vs tors. theta energy: -2.248
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: 246
Temperature: 0.900000
Total energy: -2296.460899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.460899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.460899 (E_RNA)
where:
Base-Base interactions energy: -1555.353
where: short stacking energy: -703.288
Base-Backbone interact. energy: -1.653
local terms energy: -739.455174
where:
bonds (distance) C4'-P energy: -136.775
bonds (distance) P-C4' energy: -140.647
flat angles C4'-P-C4' energy: -147.696
flat angles P-C4'-P energy: -107.980
tors. eta vs tors. theta energy: -206.358
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: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2182.775774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.775774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.775774 (E_RNA)
where:
Base-Base interactions energy: -1479.724
where: short stacking energy: -653.744
Base-Backbone interact. energy: -1.679
local terms energy: -701.372435
where:
bonds (distance) C4'-P energy: -143.390
bonds (distance) P-C4' energy: -117.900
flat angles C4'-P-C4' energy: -150.250
flat angles P-C4'-P energy: -99.584
tors. eta vs tors. theta energy: -190.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2123.869507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.869507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.869507 (E_RNA)
where:
Base-Base interactions energy: -1455.900
where: short stacking energy: -623.250
Base-Backbone interact. energy: -2.193
local terms energy: -665.776991
where:
bonds (distance) C4'-P energy: -132.458
bonds (distance) P-C4' energy: -115.433
flat angles C4'-P-C4' energy: -140.556
flat angles P-C4'-P energy: -91.212
tors. eta vs tors. theta energy: -186.118
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: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2039.311880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.311880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.311880 (E_RNA)
where:
Base-Base interactions energy: -1390.629
where: short stacking energy: -624.503
Base-Backbone interact. energy: -0.912
local terms energy: -647.770129
where:
bonds (distance) C4'-P energy: -111.596
bonds (distance) P-C4' energy: -123.068
flat angles C4'-P-C4' energy: -147.786
flat angles P-C4'-P energy: -81.354
tors. eta vs tors. theta energy: -183.967
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: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1922.953886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.953886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.953886 (E_RNA)
where:
Base-Base interactions energy: -1297.211
where: short stacking energy: -544.492
Base-Backbone interact. energy: -0.107
local terms energy: -625.635584
where:
bonds (distance) C4'-P energy: -126.915
bonds (distance) P-C4' energy: -123.917
flat angles C4'-P-C4' energy: -138.407
flat angles P-C4'-P energy: -89.997
tors. eta vs tors. theta energy: -146.400
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: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1713.893490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.893490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.893490 (E_RNA)
where:
Base-Base interactions energy: -1187.198
where: short stacking energy: -500.597
Base-Backbone interact. energy: 0.265
local terms energy: -526.960080
where:
bonds (distance) C4'-P energy: -107.607
bonds (distance) P-C4' energy: -102.412
flat angles C4'-P-C4' energy: -131.179
flat angles P-C4'-P energy: -66.822
tors. eta vs tors. theta energy: -118.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1611.016726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.016726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.016726 (E_RNA)
where:
Base-Base interactions energy: -1090.018
where: short stacking energy: -454.867
Base-Backbone interact. energy: 0.347
local terms energy: -521.345863
where:
bonds (distance) C4'-P energy: -114.230
bonds (distance) P-C4' energy: -109.894
flat angles C4'-P-C4' energy: -118.818
flat angles P-C4'-P energy: -63.597
tors. eta vs tors. theta energy: -114.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1300.049165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.049165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.049165 (E_RNA)
where:
Base-Base interactions energy: -831.115
where: short stacking energy: -377.440
Base-Backbone interact. energy: 0.652
local terms energy: -469.585294
where:
bonds (distance) C4'-P energy: -123.104
bonds (distance) P-C4' energy: -116.259
flat angles C4'-P-C4' energy: -108.345
flat angles P-C4'-P energy: -49.834
tors. eta vs tors. theta energy: -72.043
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: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -981.015872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.015872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.015872 (E_RNA)
where:
Base-Base interactions energy: -548.746
where: short stacking energy: -297.900
Base-Backbone interact. energy: 1.752
local terms energy: -434.022075
where:
bonds (distance) C4'-P energy: -101.841
bonds (distance) P-C4' energy: -115.403
flat angles C4'-P-C4' energy: -117.221
flat angles P-C4'-P energy: -47.800
tors. eta vs tors. theta energy: -51.757
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: 246
Temperature: 1.350000
Total energy: -776.896223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.896223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.896223 (E_RNA)
where:
Base-Base interactions energy: -395.319
where: short stacking energy: -231.493
Base-Backbone interact. energy: -0.218
local terms energy: -381.359355
where:
bonds (distance) C4'-P energy: -108.204
bonds (distance) P-C4' energy: -100.531
flat angles C4'-P-C4' energy: -106.622
flat angles P-C4'-P energy: -52.622
tors. eta vs tors. theta energy: -13.380
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: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2304.068758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.068758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.068758 (E_RNA)
where:
Base-Base interactions energy: -1579.786
where: short stacking energy: -695.146
Base-Backbone interact. energy: -2.460
local terms energy: -721.823034
where:
bonds (distance) C4'-P energy: -129.754
bonds (distance) P-C4' energy: -135.220
flat angles C4'-P-C4' energy: -151.025
flat angles P-C4'-P energy: -107.904
tors. eta vs tors. theta energy: -197.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2216.901224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.901224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.901224 (E_RNA)
where:
Base-Base interactions energy: -1496.610
where: short stacking energy: -672.004
Base-Backbone interact. energy: -0.947
local terms energy: -719.344109
where:
bonds (distance) C4'-P energy: -127.825
bonds (distance) P-C4' energy: -136.452
flat angles C4'-P-C4' energy: -138.364
flat angles P-C4'-P energy: -110.893
tors. eta vs tors. theta energy: -205.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2114.881210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.881210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.881210 (E_RNA)
where:
Base-Base interactions energy: -1459.907
where: short stacking energy: -654.280
Base-Backbone interact. energy: -2.941
local terms energy: -652.033220
where:
bonds (distance) C4'-P energy: -114.401
bonds (distance) P-C4' energy: -125.049
flat angles C4'-P-C4' energy: -137.641
flat angles P-C4'-P energy: -93.632
tors. eta vs tors. theta energy: -181.310
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: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2011.334190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.334190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.334190 (E_RNA)
where:
Base-Base interactions energy: -1357.050
where: short stacking energy: -598.767
Base-Backbone interact. energy: -1.522
local terms energy: -652.762417
where:
bonds (distance) C4'-P energy: -120.505
bonds (distance) P-C4' energy: -134.887
flat angles C4'-P-C4' energy: -136.705
flat angles P-C4'-P energy: -92.583
tors. eta vs tors. theta energy: -168.082
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: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1901.108386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.108386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.108386 (E_RNA)
where:
Base-Base interactions energy: -1317.834
where: short stacking energy: -578.128
Base-Backbone interact. energy: 0.015
local terms energy: -583.288949
where:
bonds (distance) C4'-P energy: -120.939
bonds (distance) P-C4' energy: -116.944
flat angles C4'-P-C4' energy: -127.605
flat angles P-C4'-P energy: -63.682
tors. eta vs tors. theta energy: -154.119
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: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1742.291797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.291797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.291797 (E_RNA)
where:
Base-Base interactions energy: -1135.991
where: short stacking energy: -507.993
Base-Backbone interact. energy: -0.825
local terms energy: -605.475771
where:
bonds (distance) C4'-P energy: -120.212
bonds (distance) P-C4' energy: -134.471
flat angles C4'-P-C4' energy: -125.269
flat angles P-C4'-P energy: -86.999
tors. eta vs tors. theta energy: -138.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1568.226475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.226475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.226475 (E_RNA)
where:
Base-Base interactions energy: -1013.752
where: short stacking energy: -472.327
Base-Backbone interact. energy: -0.642
local terms energy: -553.832581
where:
bonds (distance) C4'-P energy: -120.667
bonds (distance) P-C4' energy: -118.862
flat angles C4'-P-C4' energy: -136.272
flat angles P-C4'-P energy: -66.881
tors. eta vs tors. theta energy: -111.149
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: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1291.039779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.039779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.039779 (E_RNA)
where:
Base-Base interactions energy: -798.315
where: short stacking energy: -365.729
Base-Backbone interact. energy: -1.119
local terms energy: -491.605785
where:
bonds (distance) C4'-P energy: -113.245
bonds (distance) P-C4' energy: -109.787
flat angles C4'-P-C4' energy: -115.837
flat angles P-C4'-P energy: -73.213
tors. eta vs tors. theta energy: -79.524
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: 247
Temperature: 1.300000
Total energy: -1022.255235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.255235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.255235 (E_RNA)
where:
Base-Base interactions energy: -569.426
where: short stacking energy: -281.626
Base-Backbone interact. energy: 2.267
local terms energy: -455.095759
where:
bonds (distance) C4'-P energy: -111.065
bonds (distance) P-C4' energy: -115.973
flat angles C4'-P-C4' energy: -127.376
flat angles P-C4'-P energy: -52.319
tors. eta vs tors. theta energy: -48.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -726.888813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.888813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.888813 (E_RNA)
where:
Base-Base interactions energy: -362.797
where: short stacking energy: -219.649
Base-Backbone interact. energy: 1.446
local terms energy: -365.538457
where:
bonds (distance) C4'-P energy: -100.475
bonds (distance) P-C4' energy: -84.865
flat angles C4'-P-C4' energy: -98.513
flat angles P-C4'-P energy: -74.834
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2289.330597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.330597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.330597 (E_RNA)
where:
Base-Base interactions energy: -1575.060
where: short stacking energy: -676.782
Base-Backbone interact. energy: -2.944
local terms energy: -711.326527
where:
bonds (distance) C4'-P energy: -134.395
bonds (distance) P-C4' energy: -129.743
flat angles C4'-P-C4' energy: -149.422
flat angles P-C4'-P energy: -105.746
tors. eta vs tors. theta energy: -192.020
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: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2184.104459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.104459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.104459 (E_RNA)
where:
Base-Base interactions energy: -1493.735
where: short stacking energy: -628.615
Base-Backbone interact. energy: -1.353
local terms energy: -689.015733
where:
bonds (distance) C4'-P energy: -120.815
bonds (distance) P-C4' energy: -139.873
flat angles C4'-P-C4' energy: -147.116
flat angles P-C4'-P energy: -98.787
tors. eta vs tors. theta energy: -182.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2088.251839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.251839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.251839 (E_RNA)
where:
Base-Base interactions energy: -1409.620
where: short stacking energy: -609.142
Base-Backbone interact. energy: -1.439
local terms energy: -677.192324
where:
bonds (distance) C4'-P energy: -128.675
bonds (distance) P-C4' energy: -126.662
flat angles C4'-P-C4' energy: -141.416
flat angles P-C4'-P energy: -94.831
tors. eta vs tors. theta energy: -185.608
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: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2066.338476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.338476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.338476 (E_RNA)
where:
Base-Base interactions energy: -1426.534
where: short stacking energy: -606.089
Base-Backbone interact. energy: -4.285
local terms energy: -635.519510
where:
bonds (distance) C4'-P energy: -114.563
bonds (distance) P-C4' energy: -118.027
flat angles C4'-P-C4' energy: -129.745
flat angles P-C4'-P energy: -99.776
tors. eta vs tors. theta energy: -173.409
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: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1902.768783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.768783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.768783 (E_RNA)
where:
Base-Base interactions energy: -1325.667
where: short stacking energy: -550.198
Base-Backbone interact. energy: -3.352
local terms energy: -573.749336
where:
bonds (distance) C4'-P energy: -119.019
bonds (distance) P-C4' energy: -109.433
flat angles C4'-P-C4' energy: -128.659
flat angles P-C4'-P energy: -78.831
tors. eta vs tors. theta energy: -137.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1704.896357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.896357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.896357 (E_RNA)
where:
Base-Base interactions energy: -1125.492
where: short stacking energy: -473.305
Base-Backbone interact. energy: 1.750
local terms energy: -581.153839
where:
bonds (distance) C4'-P energy: -138.990
bonds (distance) P-C4' energy: -98.278
flat angles C4'-P-C4' energy: -138.816
flat angles P-C4'-P energy: -78.955
tors. eta vs tors. theta energy: -126.114
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: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1592.843547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.843547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.843547 (E_RNA)
where:
Base-Base interactions energy: -1016.303
where: short stacking energy: -463.271
Base-Backbone interact. energy: -1.210
local terms energy: -575.331036
where:
bonds (distance) C4'-P energy: -107.037
bonds (distance) P-C4' energy: -120.318
flat angles C4'-P-C4' energy: -137.379
flat angles P-C4'-P energy: -87.082
tors. eta vs tors. theta energy: -123.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1272.566284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.566284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.566284 (E_RNA)
where:
Base-Base interactions energy: -822.312
where: short stacking energy: -376.721
Base-Backbone interact. energy: -3.235
local terms energy: -447.019546
where:
bonds (distance) C4'-P energy: -114.995
bonds (distance) P-C4' energy: -91.987
flat angles C4'-P-C4' energy: -107.021
flat angles P-C4'-P energy: -54.315
tors. eta vs tors. theta energy: -78.701
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: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1042.065318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.065318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.065318 (E_RNA)
where:
Base-Base interactions energy: -608.899
where: short stacking energy: -285.044
Base-Backbone interact. energy: 0.832
local terms energy: -433.997951
where:
bonds (distance) C4'-P energy: -100.439
bonds (distance) P-C4' energy: -112.056
flat angles C4'-P-C4' energy: -106.613
flat angles P-C4'-P energy: -63.453
tors. eta vs tors. theta energy: -51.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -759.445038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.445038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.445038 (E_RNA)
where:
Base-Base interactions energy: -378.214
where: short stacking energy: -227.811
Base-Backbone interact. energy: 1.108
local terms energy: -382.338568
where:
bonds (distance) C4'-P energy: -112.045
bonds (distance) P-C4' energy: -110.918
flat angles C4'-P-C4' energy: -77.728
flat angles P-C4'-P energy: -65.058
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: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2280.819893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.819893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.819893 (E_RNA)
where:
Base-Base interactions energy: -1569.320
where: short stacking energy: -672.945
Base-Backbone interact. energy: -4.763
local terms energy: -706.736401
where:
bonds (distance) C4'-P energy: -128.552
bonds (distance) P-C4' energy: -142.517
flat angles C4'-P-C4' energy: -151.854
flat angles P-C4'-P energy: -86.819
tors. eta vs tors. theta energy: -196.994
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: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2180.905569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.905569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.905569 (E_RNA)
where:
Base-Base interactions energy: -1497.223
where: short stacking energy: -648.379
Base-Backbone interact. energy: -1.941
local terms energy: -681.740800
where:
bonds (distance) C4'-P energy: -128.333
bonds (distance) P-C4' energy: -120.927
flat angles C4'-P-C4' energy: -140.793
flat angles P-C4'-P energy: -100.804
tors. eta vs tors. theta energy: -190.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2076.725500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.725500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.725500 (E_RNA)
where:
Base-Base interactions energy: -1422.592
where: short stacking energy: -615.757
Base-Backbone interact. energy: 3.281
local terms energy: -657.415197
where:
bonds (distance) C4'-P energy: -121.026
bonds (distance) P-C4' energy: -124.332
flat angles C4'-P-C4' energy: -140.136
flat angles P-C4'-P energy: -93.850
tors. eta vs tors. theta energy: -178.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2017.200405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.200405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.200405 (E_RNA)
where:
Base-Base interactions energy: -1358.582
where: short stacking energy: -548.952
Base-Backbone interact. energy: -4.108
local terms energy: -654.510280
where:
bonds (distance) C4'-P energy: -128.089
bonds (distance) P-C4' energy: -132.975
flat angles C4'-P-C4' energy: -142.582
flat angles P-C4'-P energy: -97.305
tors. eta vs tors. theta energy: -153.559
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: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1847.961946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.961946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.961946 (E_RNA)
where:
Base-Base interactions energy: -1249.896
where: short stacking energy: -510.273
Base-Backbone interact. energy: -2.316
local terms energy: -595.749907
where:
bonds (distance) C4'-P energy: -112.357
bonds (distance) P-C4' energy: -114.474
flat angles C4'-P-C4' energy: -135.988
flat angles P-C4'-P energy: -88.164
tors. eta vs tors. theta energy: -144.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1707.009265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.009265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.009265 (E_RNA)
where:
Base-Base interactions energy: -1133.257
where: short stacking energy: -510.907
Base-Backbone interact. energy: -2.688
local terms energy: -571.064870
where:
bonds (distance) C4'-P energy: -115.524
bonds (distance) P-C4' energy: -117.770
flat angles C4'-P-C4' energy: -136.818
flat angles P-C4'-P energy: -79.578
tors. eta vs tors. theta energy: -121.375
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: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1599.940463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.940463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.940463 (E_RNA)
where:
Base-Base interactions energy: -1044.376
where: short stacking energy: -466.278
Base-Backbone interact. energy: -1.875
local terms energy: -553.690307
where:
bonds (distance) C4'-P energy: -111.364
bonds (distance) P-C4' energy: -119.431
flat angles C4'-P-C4' energy: -131.898
flat angles P-C4'-P energy: -75.817
tors. eta vs tors. theta energy: -115.179
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: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1287.244077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.244077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.244077 (E_RNA)
where:
Base-Base interactions energy: -766.697
where: short stacking energy: -357.762
Base-Backbone interact. energy: -1.874
local terms energy: -518.672635
where:
bonds (distance) C4'-P energy: -124.093
bonds (distance) P-C4' energy: -109.911
flat angles C4'-P-C4' energy: -128.846
flat angles P-C4'-P energy: -82.868
tors. eta vs tors. theta energy: -72.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1036.404426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.404426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.404426 (E_RNA)
where:
Base-Base interactions energy: -619.675
where: short stacking energy: -309.084
Base-Backbone interact. energy: 1.080
local terms energy: -417.809604
where:
bonds (distance) C4'-P energy: -97.327
bonds (distance) P-C4' energy: -120.178
flat angles C4'-P-C4' energy: -97.401
flat angles P-C4'-P energy: -50.169
tors. eta vs tors. theta energy: -52.734
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: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -735.284299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.284299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.284299 (E_RNA)
where:
Base-Base interactions energy: -344.655
where: short stacking energy: -180.556
Base-Backbone interact. energy: 0.800
local terms energy: -391.429915
where:
bonds (distance) C4'-P energy: -108.342
bonds (distance) P-C4' energy: -121.752
flat angles C4'-P-C4' energy: -83.312
flat angles P-C4'-P energy: -70.507
tors. eta vs tors. theta energy: -7.516
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: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2269.914588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.914588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.914588 (E_RNA)
where:
Base-Base interactions energy: -1549.752
where: short stacking energy: -681.181
Base-Backbone interact. energy: -4.231
local terms energy: -715.932404
where:
bonds (distance) C4'-P energy: -132.597
bonds (distance) P-C4' energy: -141.426
flat angles C4'-P-C4' energy: -152.255
flat angles P-C4'-P energy: -91.630
tors. eta vs tors. theta energy: -198.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2211.644121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.644121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.644121 (E_RNA)
where:
Base-Base interactions energy: -1485.135
where: short stacking energy: -641.926
Base-Backbone interact. energy: -2.367
local terms energy: -724.142441
where:
bonds (distance) C4'-P energy: -124.479
bonds (distance) P-C4' energy: -142.443
flat angles C4'-P-C4' energy: -159.561
flat angles P-C4'-P energy: -97.329
tors. eta vs tors. theta energy: -200.330
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: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2080.116925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.116925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.116925 (E_RNA)
where:
Base-Base interactions energy: -1414.747
where: short stacking energy: -622.713
Base-Backbone interact. energy: -0.936
local terms energy: -664.434357
where:
bonds (distance) C4'-P energy: -123.130
bonds (distance) P-C4' energy: -123.703
flat angles C4'-P-C4' energy: -139.532
flat angles P-C4'-P energy: -94.974
tors. eta vs tors. theta energy: -183.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2024.632507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.632507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.632507 (E_RNA)
where:
Base-Base interactions energy: -1396.712
where: short stacking energy: -581.669
Base-Backbone interact. energy: 1.100
local terms energy: -629.020353
where:
bonds (distance) C4'-P energy: -133.974
bonds (distance) P-C4' energy: -113.571
flat angles C4'-P-C4' energy: -129.925
flat angles P-C4'-P energy: -96.183
tors. eta vs tors. theta energy: -155.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1833.678099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.678099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.678099 (E_RNA)
where:
Base-Base interactions energy: -1260.322
where: short stacking energy: -553.473
Base-Backbone interact. energy: 3.766
local terms energy: -577.122968
where:
bonds (distance) C4'-P energy: -108.294
bonds (distance) P-C4' energy: -125.270
flat angles C4'-P-C4' energy: -120.798
flat angles P-C4'-P energy: -82.717
tors. eta vs tors. theta energy: -140.044
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: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1713.805738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.805738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.805738 (E_RNA)
where:
Base-Base interactions energy: -1160.820
where: short stacking energy: -517.680
Base-Backbone interact. energy: -2.687
local terms energy: -550.298388
where:
bonds (distance) C4'-P energy: -103.730
bonds (distance) P-C4' energy: -91.218
flat angles C4'-P-C4' energy: -136.400
flat angles P-C4'-P energy: -94.266
tors. eta vs tors. theta energy: -124.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1552.529479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.529479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.529479 (E_RNA)
where:
Base-Base interactions energy: -1011.310
where: short stacking energy: -452.015
Base-Backbone interact. energy: -3.590
local terms energy: -537.629470
where:
bonds (distance) C4'-P energy: -108.365
bonds (distance) P-C4' energy: -136.148
flat angles C4'-P-C4' energy: -101.398
flat angles P-C4'-P energy: -82.641
tors. eta vs tors. theta energy: -109.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1334.835972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.835972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.835972 (E_RNA)
where:
Base-Base interactions energy: -835.880
where: short stacking energy: -401.496
Base-Backbone interact. energy: -2.280
local terms energy: -496.675539
where:
bonds (distance) C4'-P energy: -94.258
bonds (distance) P-C4' energy: -133.806
flat angles C4'-P-C4' energy: -107.959
flat angles P-C4'-P energy: -82.785
tors. eta vs tors. theta energy: -77.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1017.259011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.259011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.259011 (E_RNA)
where:
Base-Base interactions energy: -638.307
where: short stacking energy: -314.508
Base-Backbone interact. energy: 0.986
local terms energy: -379.937456
where:
bonds (distance) C4'-P energy: -113.338
bonds (distance) P-C4' energy: -115.735
flat angles C4'-P-C4' energy: -72.210
flat angles P-C4'-P energy: -46.108
tors. eta vs tors. theta energy: -32.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -744.009033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.009033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.009033 (E_RNA)
where:
Base-Base interactions energy: -388.099
where: short stacking energy: -229.295
Base-Backbone interact. energy: 3.120
local terms energy: -359.029818
where:
bonds (distance) C4'-P energy: -91.816
bonds (distance) P-C4' energy: -105.268
flat angles C4'-P-C4' energy: -95.085
flat angles P-C4'-P energy: -59.053
tors. eta vs tors. theta energy: -7.807
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: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2278.368577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.368577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.368577 (E_RNA)
where:
Base-Base interactions energy: -1584.025
where: short stacking energy: -678.976
Base-Backbone interact. energy: -3.165
local terms energy: -691.179022
where:
bonds (distance) C4'-P energy: -129.398
bonds (distance) P-C4' energy: -114.496
flat angles C4'-P-C4' energy: -143.969
flat angles P-C4'-P energy: -95.281
tors. eta vs tors. theta energy: -208.035
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: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2207.373976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.373976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.373976 (E_RNA)
where:
Base-Base interactions energy: -1481.725
where: short stacking energy: -666.248
Base-Backbone interact. energy: -1.641
local terms energy: -724.008579
where:
bonds (distance) C4'-P energy: -134.523
bonds (distance) P-C4' energy: -125.105
flat angles C4'-P-C4' energy: -157.746
flat angles P-C4'-P energy: -100.635
tors. eta vs tors. theta energy: -206.000
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: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2058.487338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.487338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.487338 (E_RNA)
where:
Base-Base interactions energy: -1396.013
where: short stacking energy: -618.814
Base-Backbone interact. energy: 1.567
local terms energy: -664.041645
where:
bonds (distance) C4'-P energy: -113.437
bonds (distance) P-C4' energy: -130.284
flat angles C4'-P-C4' energy: -139.774
flat angles P-C4'-P energy: -99.322
tors. eta vs tors. theta energy: -181.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1983.609884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.609884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.609884 (E_RNA)
where:
Base-Base interactions energy: -1353.070
where: short stacking energy: -591.221
Base-Backbone interact. energy: 1.876
local terms energy: -632.416029
where:
bonds (distance) C4'-P energy: -121.013
bonds (distance) P-C4' energy: -131.481
flat angles C4'-P-C4' energy: -135.255
flat angles P-C4'-P energy: -80.625
tors. eta vs tors. theta energy: -164.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1861.403472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.403472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.403472 (E_RNA)
where:
Base-Base interactions energy: -1286.708
where: short stacking energy: -498.447
Base-Backbone interact. energy: 0.415
local terms energy: -575.109778
where:
bonds (distance) C4'-P energy: -105.312
bonds (distance) P-C4' energy: -124.225
flat angles C4'-P-C4' energy: -132.910
flat angles P-C4'-P energy: -85.643
tors. eta vs tors. theta energy: -127.021
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: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1703.999752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.999752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.999752 (E_RNA)
where:
Base-Base interactions energy: -1162.418
where: short stacking energy: -512.892
Base-Backbone interact. energy: -0.847
local terms energy: -540.734738
where:
bonds (distance) C4'-P energy: -107.083
bonds (distance) P-C4' energy: -103.661
flat angles C4'-P-C4' energy: -141.680
flat angles P-C4'-P energy: -70.400
tors. eta vs tors. theta energy: -117.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1492.740091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.740091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.740091 (E_RNA)
where:
Base-Base interactions energy: -967.425
where: short stacking energy: -455.875
Base-Backbone interact. energy: -1.205
local terms energy: -524.109454
where:
bonds (distance) C4'-P energy: -116.424
bonds (distance) P-C4' energy: -115.466
flat angles C4'-P-C4' energy: -127.298
flat angles P-C4'-P energy: -64.351
tors. eta vs tors. theta energy: -100.570
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: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1296.760814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.760814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.760814 (E_RNA)
where:
Base-Base interactions energy: -822.418
where: short stacking energy: -386.699
Base-Backbone interact. energy: -1.877
local terms energy: -472.466352
where:
bonds (distance) C4'-P energy: -96.719
bonds (distance) P-C4' energy: -127.566
flat angles C4'-P-C4' energy: -117.164
flat angles P-C4'-P energy: -60.580
tors. eta vs tors. theta energy: -70.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1043.787736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.787736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.787736 (E_RNA)
where:
Base-Base interactions energy: -634.485
where: short stacking energy: -320.667
Base-Backbone interact. energy: -1.942
local terms energy: -407.361159
where:
bonds (distance) C4'-P energy: -113.086
bonds (distance) P-C4' energy: -100.067
flat angles C4'-P-C4' energy: -95.563
flat angles P-C4'-P energy: -54.309
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: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -777.259798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.259798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.259798 (E_RNA)
where:
Base-Base interactions energy: -394.536
where: short stacking energy: -230.728
Base-Backbone interact. energy: 0.528
local terms energy: -383.251626
where:
bonds (distance) C4'-P energy: -113.508
bonds (distance) P-C4' energy: -119.062
flat angles C4'-P-C4' energy: -97.832
flat angles P-C4'-P energy: -38.878
tors. eta vs tors. theta energy: -13.972
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: 252
Temperature: 0.900000
Total energy: -2285.580759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.580759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.580759 (E_RNA)
where:
Base-Base interactions energy: -1550.555
where: short stacking energy: -689.837
Base-Backbone interact. energy: -3.591
local terms energy: -731.434902
where:
bonds (distance) C4'-P energy: -128.649
bonds (distance) P-C4' energy: -146.299
flat angles C4'-P-C4' energy: -150.163
flat angles P-C4'-P energy: -101.264
tors. eta vs tors. theta energy: -205.060
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: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2204.800320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.800320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.800320 (E_RNA)
where:
Base-Base interactions energy: -1519.986
where: short stacking energy: -662.135
Base-Backbone interact. energy: 2.351
local terms energy: -687.164888
where:
bonds (distance) C4'-P energy: -124.526
bonds (distance) P-C4' energy: -125.534
flat angles C4'-P-C4' energy: -153.625
flat angles P-C4'-P energy: -96.774
tors. eta vs tors. theta energy: -186.707
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: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2082.314525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.314525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.314525 (E_RNA)
where:
Base-Base interactions energy: -1412.575
where: short stacking energy: -621.998
Base-Backbone interact. energy: -1.426
local terms energy: -668.313700
where:
bonds (distance) C4'-P energy: -120.351
bonds (distance) P-C4' energy: -125.639
flat angles C4'-P-C4' energy: -139.951
flat angles P-C4'-P energy: -100.615
tors. eta vs tors. theta energy: -181.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1990.439190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.439190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.439190 (E_RNA)
where:
Base-Base interactions energy: -1381.329
where: short stacking energy: -576.504
Base-Backbone interact. energy: -2.440
local terms energy: -606.670025
where:
bonds (distance) C4'-P energy: -124.770
bonds (distance) P-C4' energy: -101.402
flat angles C4'-P-C4' energy: -139.416
flat angles P-C4'-P energy: -82.785
tors. eta vs tors. theta energy: -158.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1878.916835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.916835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.916835 (E_RNA)
where:
Base-Base interactions energy: -1311.010
where: short stacking energy: -530.022
Base-Backbone interact. energy: -1.651
local terms energy: -566.255420
where:
bonds (distance) C4'-P energy: -104.169
bonds (distance) P-C4' energy: -108.658
flat angles C4'-P-C4' energy: -137.490
flat angles P-C4'-P energy: -61.873
tors. eta vs tors. theta energy: -154.065
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: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1755.147438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.147438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.147438 (E_RNA)
where:
Base-Base interactions energy: -1161.303
where: short stacking energy: -533.200
Base-Backbone interact. energy: -3.271
local terms energy: -590.573150
where:
bonds (distance) C4'-P energy: -107.952
bonds (distance) P-C4' energy: -120.202
flat angles C4'-P-C4' energy: -137.629
flat angles P-C4'-P energy: -87.584
tors. eta vs tors. theta energy: -137.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1500.804783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.804783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.804783 (E_RNA)
where:
Base-Base interactions energy: -970.623
where: short stacking energy: -421.291
Base-Backbone interact. energy: -2.513
local terms energy: -527.668758
where:
bonds (distance) C4'-P energy: -129.889
bonds (distance) P-C4' energy: -113.958
flat angles C4'-P-C4' energy: -98.386
flat angles P-C4'-P energy: -85.033
tors. eta vs tors. theta energy: -100.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1340.557782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.557782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.557782 (E_RNA)
where:
Base-Base interactions energy: -852.262
where: short stacking energy: -386.616
Base-Backbone interact. energy: 0.133
local terms energy: -488.429114
where:
bonds (distance) C4'-P energy: -117.859
bonds (distance) P-C4' energy: -102.225
flat angles C4'-P-C4' energy: -104.093
flat angles P-C4'-P energy: -80.910
tors. eta vs tors. theta energy: -83.342
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: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1000.232139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.232139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.232139 (E_RNA)
where:
Base-Base interactions energy: -585.523
where: short stacking energy: -293.684
Base-Backbone interact. energy: 8.366
local terms energy: -423.075687
where:
bonds (distance) C4'-P energy: -112.178
bonds (distance) P-C4' energy: -120.884
flat angles C4'-P-C4' energy: -93.278
flat angles P-C4'-P energy: -59.335
tors. eta vs tors. theta energy: -37.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -742.189110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.189110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.189110 (E_RNA)
where:
Base-Base interactions energy: -370.910
where: short stacking energy: -213.653
Base-Backbone interact. energy: 4.170
local terms energy: -375.449228
where:
bonds (distance) C4'-P energy: -114.286
bonds (distance) P-C4' energy: -108.273
flat angles C4'-P-C4' energy: -74.844
flat angles P-C4'-P energy: -69.724
tors. eta vs tors. theta energy: -8.322
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: 253
Temperature: 0.900000
Total energy: -2279.944695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.944695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.944695 (E_RNA)
where:
Base-Base interactions energy: -1555.144
where: short stacking energy: -683.754
Base-Backbone interact. energy: -3.725
local terms energy: -721.075639
where:
bonds (distance) C4'-P energy: -121.169
bonds (distance) P-C4' energy: -132.488
flat angles C4'-P-C4' energy: -159.922
flat angles P-C4'-P energy: -104.512
tors. eta vs tors. theta energy: -202.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2187.374373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.374373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.374373 (E_RNA)
where:
Base-Base interactions energy: -1478.534
where: short stacking energy: -633.511
Base-Backbone interact. energy: -0.357
local terms energy: -708.483627
where:
bonds (distance) C4'-P energy: -128.185
bonds (distance) P-C4' energy: -133.135
flat angles C4'-P-C4' energy: -147.454
flat angles P-C4'-P energy: -118.774
tors. eta vs tors. theta energy: -180.936
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: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2110.284920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.284920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.284920 (E_RNA)
where:
Base-Base interactions energy: -1434.402
where: short stacking energy: -631.960
Base-Backbone interact. energy: -1.030
local terms energy: -674.852832
where:
bonds (distance) C4'-P energy: -124.740
bonds (distance) P-C4' energy: -131.104
flat angles C4'-P-C4' energy: -148.078
flat angles P-C4'-P energy: -89.147
tors. eta vs tors. theta energy: -181.784
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: 253
Temperature: 1.050000
Total energy: -2011.766722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.766722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.766722 (E_RNA)
where:
Base-Base interactions energy: -1385.111
where: short stacking energy: -565.574
Base-Backbone interact. energy: -3.688
local terms energy: -622.966923
where:
bonds (distance) C4'-P energy: -120.340
bonds (distance) P-C4' energy: -136.572
flat angles C4'-P-C4' energy: -129.323
flat angles P-C4'-P energy: -82.999
tors. eta vs tors. theta energy: -153.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1876.428361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.428361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.428361 (E_RNA)
where:
Base-Base interactions energy: -1274.297
where: short stacking energy: -521.402
Base-Backbone interact. energy: -0.570
local terms energy: -601.561857
where:
bonds (distance) C4'-P energy: -119.036
bonds (distance) P-C4' energy: -111.840
flat angles C4'-P-C4' energy: -137.952
flat angles P-C4'-P energy: -84.035
tors. eta vs tors. theta energy: -148.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1720.771516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.771516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.771516 (E_RNA)
where:
Base-Base interactions energy: -1152.347
where: short stacking energy: -491.535
Base-Backbone interact. energy: -3.709
local terms energy: -564.715721
where:
bonds (distance) C4'-P energy: -111.423
bonds (distance) P-C4' energy: -115.972
flat angles C4'-P-C4' energy: -121.051
flat angles P-C4'-P energy: -83.723
tors. eta vs tors. theta energy: -132.547
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: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1409.074701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.074701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.074701 (E_RNA)
where:
Base-Base interactions energy: -899.175
where: short stacking energy: -409.905
Base-Backbone interact. energy: 2.368
local terms energy: -512.267518
where:
bonds (distance) C4'-P energy: -103.775
bonds (distance) P-C4' energy: -96.130
flat angles C4'-P-C4' energy: -115.829
flat angles P-C4'-P energy: -86.704
tors. eta vs tors. theta energy: -109.830
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: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1294.641183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.641183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.641183 (E_RNA)
where:
Base-Base interactions energy: -812.181
where: short stacking energy: -352.676
Base-Backbone interact. energy: 0.427
local terms energy: -482.887822
where:
bonds (distance) C4'-P energy: -127.421
bonds (distance) P-C4' energy: -122.429
flat angles C4'-P-C4' energy: -102.848
flat angles P-C4'-P energy: -68.582
tors. eta vs tors. theta energy: -61.608
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: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -961.761948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.761948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.761948 (E_RNA)
where:
Base-Base interactions energy: -559.301
where: short stacking energy: -256.497
Base-Backbone interact. energy: 1.069
local terms energy: -403.530014
where:
bonds (distance) C4'-P energy: -113.035
bonds (distance) P-C4' energy: -110.385
flat angles C4'-P-C4' energy: -102.536
flat angles P-C4'-P energy: -52.410
tors. eta vs tors. theta energy: -25.164
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: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -750.144191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.144191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.144191 (E_RNA)
where:
Base-Base interactions energy: -379.864
where: short stacking energy: -214.359
Base-Backbone interact. energy: -0.069
local terms energy: -370.210549
where:
bonds (distance) C4'-P energy: -99.883
bonds (distance) P-C4' energy: -107.084
flat angles C4'-P-C4' energy: -105.038
flat angles P-C4'-P energy: -58.813
tors. eta vs tors. theta energy: 0.608
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: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2273.312067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.312067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.312067 (E_RNA)
where:
Base-Base interactions energy: -1556.933
where: short stacking energy: -672.825
Base-Backbone interact. energy: -2.221
local terms energy: -714.158626
where:
bonds (distance) C4'-P energy: -123.062
bonds (distance) P-C4' energy: -147.098
flat angles C4'-P-C4' energy: -151.159
flat angles P-C4'-P energy: -95.370
tors. eta vs tors. theta energy: -197.471
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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2183.859745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.859745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.859745 (E_RNA)
where:
Base-Base interactions energy: -1469.995
where: short stacking energy: -657.163
Base-Backbone interact. energy: -1.302
local terms energy: -712.562539
where:
bonds (distance) C4'-P energy: -135.516
bonds (distance) P-C4' energy: -134.007
flat angles C4'-P-C4' energy: -135.794
flat angles P-C4'-P energy: -105.477
tors. eta vs tors. theta energy: -201.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2081.807597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.807597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.807597 (E_RNA)
where:
Base-Base interactions energy: -1460.372
where: short stacking energy: -601.780
Base-Backbone interact. energy: -4.383
local terms energy: -617.052264
where:
bonds (distance) C4'-P energy: -115.882
bonds (distance) P-C4' energy: -128.440
flat angles C4'-P-C4' energy: -137.783
flat angles P-C4'-P energy: -71.278
tors. eta vs tors. theta energy: -163.670
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: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2075.992457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.992457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.992457 (E_RNA)
where:
Base-Base interactions energy: -1397.123
where: short stacking energy: -613.325
Base-Backbone interact. energy: 1.220
local terms energy: -680.089589
where:
bonds (distance) C4'-P energy: -122.712
bonds (distance) P-C4' energy: -135.760
flat angles C4'-P-C4' energy: -142.881
flat angles P-C4'-P energy: -88.112
tors. eta vs tors. theta energy: -190.623
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: 254
Temperature: 1.100000
Total energy: -1872.846909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.846909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.846909 (E_RNA)
where:
Base-Base interactions energy: -1289.063
where: short stacking energy: -527.846
Base-Backbone interact. energy: -1.275
local terms energy: -582.508791
where:
bonds (distance) C4'-P energy: -107.916
bonds (distance) P-C4' energy: -101.046
flat angles C4'-P-C4' energy: -132.586
flat angles P-C4'-P energy: -96.729
tors. eta vs tors. theta energy: -144.232
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: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1712.629299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.629299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.629299 (E_RNA)
where:
Base-Base interactions energy: -1127.277
where: short stacking energy: -527.318
Base-Backbone interact. energy: -0.443
local terms energy: -584.909480
where:
bonds (distance) C4'-P energy: -116.626
bonds (distance) P-C4' energy: -122.832
flat angles C4'-P-C4' energy: -130.242
flat angles P-C4'-P energy: -92.738
tors. eta vs tors. theta energy: -122.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1389.039551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.039551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.039551 (E_RNA)
where:
Base-Base interactions energy: -888.415
where: short stacking energy: -421.279
Base-Backbone interact. energy: -1.641
local terms energy: -498.983253
where:
bonds (distance) C4'-P energy: -128.805
bonds (distance) P-C4' energy: -94.377
flat angles C4'-P-C4' energy: -121.870
flat angles P-C4'-P energy: -70.855
tors. eta vs tors. theta energy: -83.077
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: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1301.063749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.063749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.063749 (E_RNA)
where:
Base-Base interactions energy: -816.143
where: short stacking energy: -386.995
Base-Backbone interact. energy: -0.941
local terms energy: -483.979139
where:
bonds (distance) C4'-P energy: -108.814
bonds (distance) P-C4' energy: -128.234
flat angles C4'-P-C4' energy: -99.439
flat angles P-C4'-P energy: -56.099
tors. eta vs tors. theta energy: -91.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -961.131981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.131981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.131981 (E_RNA)
where:
Base-Base interactions energy: -551.144
where: short stacking energy: -277.505
Base-Backbone interact. energy: 0.633
local terms energy: -410.621709
where:
bonds (distance) C4'-P energy: -115.358
bonds (distance) P-C4' energy: -107.866
flat angles C4'-P-C4' energy: -98.061
flat angles P-C4'-P energy: -54.922
tors. eta vs tors. theta energy: -34.415
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: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -719.078371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.078371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.078371 (E_RNA)
where:
Base-Base interactions energy: -350.163
where: short stacking energy: -210.588
Base-Backbone interact. energy: 0.809
local terms energy: -369.724690
where:
bonds (distance) C4'-P energy: -92.760
bonds (distance) P-C4' energy: -108.398
flat angles C4'-P-C4' energy: -94.898
flat angles P-C4'-P energy: -60.457
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2280.983526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.983526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.983526 (E_RNA)
where:
Base-Base interactions energy: -1564.037
where: short stacking energy: -674.189
Base-Backbone interact. energy: -2.473
local terms energy: -714.473719
where:
bonds (distance) C4'-P energy: -133.121
bonds (distance) P-C4' energy: -140.819
flat angles C4'-P-C4' energy: -146.028
flat angles P-C4'-P energy: -91.921
tors. eta vs tors. theta energy: -202.585
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: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2174.416804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.416804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.416804 (E_RNA)
where:
Base-Base interactions energy: -1473.535
where: short stacking energy: -634.758
Base-Backbone interact. energy: -1.076
local terms energy: -699.805555
where:
bonds (distance) C4'-P energy: -140.289
bonds (distance) P-C4' energy: -112.817
flat angles C4'-P-C4' energy: -151.329
flat angles P-C4'-P energy: -102.800
tors. eta vs tors. theta energy: -192.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2078.364607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.364607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.364607 (E_RNA)
where:
Base-Base interactions energy: -1416.196
where: short stacking energy: -613.183
Base-Backbone interact. energy: -0.589
local terms energy: -661.579690
where:
bonds (distance) C4'-P energy: -128.043
bonds (distance) P-C4' energy: -126.913
flat angles C4'-P-C4' energy: -132.844
flat angles P-C4'-P energy: -96.838
tors. eta vs tors. theta energy: -176.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1984.343152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.343152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.343152 (E_RNA)
where:
Base-Base interactions energy: -1338.870
where: short stacking energy: -605.982
Base-Backbone interact. energy: -1.514
local terms energy: -643.959659
where:
bonds (distance) C4'-P energy: -104.772
bonds (distance) P-C4' energy: -130.015
flat angles C4'-P-C4' energy: -135.125
flat angles P-C4'-P energy: -104.607
tors. eta vs tors. theta energy: -169.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1895.258574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.258574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.258574 (E_RNA)
where:
Base-Base interactions energy: -1279.839
where: short stacking energy: -542.883
Base-Backbone interact. energy: -2.078
local terms energy: -613.341073
where:
bonds (distance) C4'-P energy: -117.279
bonds (distance) P-C4' energy: -125.522
flat angles C4'-P-C4' energy: -142.820
flat angles P-C4'-P energy: -82.970
tors. eta vs tors. theta energy: -144.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1708.049134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.049134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.049134 (E_RNA)
where:
Base-Base interactions energy: -1148.918
where: short stacking energy: -506.128
Base-Backbone interact. energy: -0.330
local terms energy: -558.801311
where:
bonds (distance) C4'-P energy: -111.462
bonds (distance) P-C4' energy: -111.308
flat angles C4'-P-C4' energy: -125.704
flat angles P-C4'-P energy: -73.427
tors. eta vs tors. theta energy: -136.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1433.658441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.658441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.658441 (E_RNA)
where:
Base-Base interactions energy: -954.819
where: short stacking energy: -413.015
Base-Backbone interact. energy: 0.161
local terms energy: -478.999764
where:
bonds (distance) C4'-P energy: -107.047
bonds (distance) P-C4' energy: -103.025
flat angles C4'-P-C4' energy: -122.216
flat angles P-C4'-P energy: -65.779
tors. eta vs tors. theta energy: -80.932
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: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1276.737063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.737063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.737063 (E_RNA)
where:
Base-Base interactions energy: -820.663
where: short stacking energy: -377.132
Base-Backbone interact. energy: 0.942
local terms energy: -457.016375
where:
bonds (distance) C4'-P energy: -95.783
bonds (distance) P-C4' energy: -100.506
flat angles C4'-P-C4' energy: -110.208
flat angles P-C4'-P energy: -76.433
tors. eta vs tors. theta energy: -74.085
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: 255
Temperature: 1.300000
Total energy: -1028.273497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.273497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.273497 (E_RNA)
where:
Base-Base interactions energy: -606.981
where: short stacking energy: -292.448
Base-Backbone interact. energy: -2.340
local terms energy: -418.953131
where:
bonds (distance) C4'-P energy: -114.223
bonds (distance) P-C4' energy: -103.506
flat angles C4'-P-C4' energy: -112.606
flat angles P-C4'-P energy: -53.951
tors. eta vs tors. theta energy: -34.668
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: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -740.428775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.428775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.428775 (E_RNA)
where:
Base-Base interactions energy: -367.253
where: short stacking energy: -203.656
Base-Backbone interact. energy: -1.264
local terms energy: -371.911465
where:
bonds (distance) C4'-P energy: -95.647
bonds (distance) P-C4' energy: -109.062
flat angles C4'-P-C4' energy: -108.375
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -17.936
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: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2311.853332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.853332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.853332 (E_RNA)
where:
Base-Base interactions energy: -1590.630
where: short stacking energy: -690.177
Base-Backbone interact. energy: -0.682
local terms energy: -720.541255
where:
bonds (distance) C4'-P energy: -133.374
bonds (distance) P-C4' energy: -147.262
flat angles C4'-P-C4' energy: -152.845
flat angles P-C4'-P energy: -92.412
tors. eta vs tors. theta energy: -194.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2190.488486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.488486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.488486 (E_RNA)
where:
Base-Base interactions energy: -1496.520
where: short stacking energy: -631.324
Base-Backbone interact. energy: 0.348
local terms energy: -694.316416
where:
bonds (distance) C4'-P energy: -122.058
bonds (distance) P-C4' energy: -138.051
flat angles C4'-P-C4' energy: -153.262
flat angles P-C4'-P energy: -94.206
tors. eta vs tors. theta energy: -186.740
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: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2083.454141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.454141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.454141 (E_RNA)
where:
Base-Base interactions energy: -1420.969
where: short stacking energy: -601.696
Base-Backbone interact. energy: -1.923
local terms energy: -660.562613
where:
bonds (distance) C4'-P energy: -121.832
bonds (distance) P-C4' energy: -131.640
flat angles C4'-P-C4' energy: -131.955
flat angles P-C4'-P energy: -98.562
tors. eta vs tors. theta energy: -176.574
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: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2003.702828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.702828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.702828 (E_RNA)
where:
Base-Base interactions energy: -1345.209
where: short stacking energy: -612.095
Base-Backbone interact. energy: -0.766
local terms energy: -657.727434
where:
bonds (distance) C4'-P energy: -126.475
bonds (distance) P-C4' energy: -131.886
flat angles C4'-P-C4' energy: -150.287
flat angles P-C4'-P energy: -75.401
tors. eta vs tors. theta energy: -173.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1909.756248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.756248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.756248 (E_RNA)
where:
Base-Base interactions energy: -1294.022
where: short stacking energy: -546.262
Base-Backbone interact. energy: -2.573
local terms energy: -613.161010
where:
bonds (distance) C4'-P energy: -123.941
bonds (distance) P-C4' energy: -124.991
flat angles C4'-P-C4' energy: -130.262
flat angles P-C4'-P energy: -90.231
tors. eta vs tors. theta energy: -143.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1717.350362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.350362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.350362 (E_RNA)
where:
Base-Base interactions energy: -1144.985
where: short stacking energy: -504.156
Base-Backbone interact. energy: 0.474
local terms energy: -572.839693
where:
bonds (distance) C4'-P energy: -115.229
bonds (distance) P-C4' energy: -113.125
flat angles C4'-P-C4' energy: -133.275
flat angles P-C4'-P energy: -81.228
tors. eta vs tors. theta energy: -129.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1418.085934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.085934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.085934 (E_RNA)
where:
Base-Base interactions energy: -920.281
where: short stacking energy: -408.243
Base-Backbone interact. energy: -0.642
local terms energy: -497.162814
where:
bonds (distance) C4'-P energy: -113.493
bonds (distance) P-C4' energy: -106.484
flat angles C4'-P-C4' energy: -115.613
flat angles P-C4'-P energy: -76.269
tors. eta vs tors. theta energy: -85.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1271.452911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.452911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.452911 (E_RNA)
where:
Base-Base interactions energy: -775.996
where: short stacking energy: -372.316
Base-Backbone interact. energy: 1.762
local terms energy: -497.218549
where:
bonds (distance) C4'-P energy: -112.193
bonds (distance) P-C4' energy: -111.413
flat angles C4'-P-C4' energy: -116.066
flat angles P-C4'-P energy: -64.085
tors. eta vs tors. theta energy: -93.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1071.944816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.944816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.944816 (E_RNA)
where:
Base-Base interactions energy: -616.378
where: short stacking energy: -284.518
Base-Backbone interact. energy: -2.884
local terms energy: -452.683528
where:
bonds (distance) C4'-P energy: -106.475
bonds (distance) P-C4' energy: -130.910
flat angles C4'-P-C4' energy: -105.566
flat angles P-C4'-P energy: -67.075
tors. eta vs tors. theta energy: -42.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -724.172417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.172417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.172417 (E_RNA)
where:
Base-Base interactions energy: -341.852
where: short stacking energy: -204.605
Base-Backbone interact. energy: -2.088
local terms energy: -380.233210
where:
bonds (distance) C4'-P energy: -87.020
bonds (distance) P-C4' energy: -119.953
flat angles C4'-P-C4' energy: -104.780
flat angles P-C4'-P energy: -72.073
tors. eta vs tors. theta energy: 3.593
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: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2320.169564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.169564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.169564 (E_RNA)
where:
Base-Base interactions energy: -1581.729
where: short stacking energy: -689.702
Base-Backbone interact. energy: -1.444
local terms energy: -736.995764
where:
bonds (distance) C4'-P energy: -139.001
bonds (distance) P-C4' energy: -134.996
flat angles C4'-P-C4' energy: -153.851
flat angles P-C4'-P energy: -101.402
tors. eta vs tors. theta energy: -207.745
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: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2157.208127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.208127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.208127 (E_RNA)
where:
Base-Base interactions energy: -1473.129
where: short stacking energy: -630.150
Base-Backbone interact. energy: -0.686
local terms energy: -683.393749
where:
bonds (distance) C4'-P energy: -121.148
bonds (distance) P-C4' energy: -128.164
flat angles C4'-P-C4' energy: -148.934
flat angles P-C4'-P energy: -95.889
tors. eta vs tors. theta energy: -189.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2064.087858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.087858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.087858 (E_RNA)
where:
Base-Base interactions energy: -1409.368
where: short stacking energy: -611.022
Base-Backbone interact. energy: -2.398
local terms energy: -652.321818
where:
bonds (distance) C4'-P energy: -123.472
bonds (distance) P-C4' energy: -119.819
flat angles C4'-P-C4' energy: -150.608
flat angles P-C4'-P energy: -89.000
tors. eta vs tors. theta energy: -169.423
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: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1944.191788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.191788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.191788 (E_RNA)
where:
Base-Base interactions energy: -1298.801
where: short stacking energy: -574.558
Base-Backbone interact. energy: -0.323
local terms energy: -645.067523
where:
bonds (distance) C4'-P energy: -118.130
bonds (distance) P-C4' energy: -117.428
flat angles C4'-P-C4' energy: -148.265
flat angles P-C4'-P energy: -99.354
tors. eta vs tors. theta energy: -161.891
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: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1894.880565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.880565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.880565 (E_RNA)
where:
Base-Base interactions energy: -1304.006
where: short stacking energy: -534.691
Base-Backbone interact. energy: 0.340
local terms energy: -591.214949
where:
bonds (distance) C4'-P energy: -112.191
bonds (distance) P-C4' energy: -110.752
flat angles C4'-P-C4' energy: -131.242
flat angles P-C4'-P energy: -96.566
tors. eta vs tors. theta energy: -140.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1668.235170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.235170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.235170 (E_RNA)
where:
Base-Base interactions energy: -1085.112
where: short stacking energy: -498.709
Base-Backbone interact. energy: 5.200
local terms energy: -588.323012
where:
bonds (distance) C4'-P energy: -121.713
bonds (distance) P-C4' energy: -129.566
flat angles C4'-P-C4' energy: -122.068
flat angles P-C4'-P energy: -81.915
tors. eta vs tors. theta energy: -133.061
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: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1461.620914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.620914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.620914 (E_RNA)
where:
Base-Base interactions energy: -947.225
where: short stacking energy: -440.137
Base-Backbone interact. energy: -2.129
local terms energy: -512.266498
where:
bonds (distance) C4'-P energy: -110.836
bonds (distance) P-C4' energy: -126.968
flat angles C4'-P-C4' energy: -119.164
flat angles P-C4'-P energy: -69.016
tors. eta vs tors. theta energy: -86.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1233.700574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.700574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.700574 (E_RNA)
where:
Base-Base interactions energy: -782.018
where: short stacking energy: -378.399
Base-Backbone interact. energy: 0.179
local terms energy: -451.861372
where:
bonds (distance) C4'-P energy: -90.412
bonds (distance) P-C4' energy: -123.980
flat angles C4'-P-C4' energy: -101.879
flat angles P-C4'-P energy: -65.587
tors. eta vs tors. theta energy: -70.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1083.436907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.436907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.436907 (E_RNA)
where:
Base-Base interactions energy: -645.148
where: short stacking energy: -286.511
Base-Backbone interact. energy: -2.826
local terms energy: -435.462682
where:
bonds (distance) C4'-P energy: -89.699
bonds (distance) P-C4' energy: -106.139
flat angles C4'-P-C4' energy: -114.462
flat angles P-C4'-P energy: -78.777
tors. eta vs tors. theta energy: -46.385
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: 257
Temperature: 1.350000
Total energy: -725.657994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.657994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.657994 (E_RNA)
where:
Base-Base interactions energy: -375.049
where: short stacking energy: -220.688
Base-Backbone interact. energy: -0.978
local terms energy: -349.630412
where:
bonds (distance) C4'-P energy: -110.326
bonds (distance) P-C4' energy: -110.682
flat angles C4'-P-C4' energy: -75.374
flat angles P-C4'-P energy: -54.365
tors. eta vs tors. theta energy: 1.118
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: 258
Temperature: 0.900000
Total energy: -2305.003838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.003838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.003838 (E_RNA)
where:
Base-Base interactions energy: -1572.217
where: short stacking energy: -694.546
Base-Backbone interact. energy: -3.011
local terms energy: -729.775702
where:
bonds (distance) C4'-P energy: -137.188
bonds (distance) P-C4' energy: -131.190
flat angles C4'-P-C4' energy: -149.442
flat angles P-C4'-P energy: -110.702
tors. eta vs tors. theta energy: -201.253
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: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2201.805048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.805048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.805048 (E_RNA)
where:
Base-Base interactions energy: -1483.743
where: short stacking energy: -668.645
Base-Backbone interact. energy: 0.318
local terms energy: -718.379793
where:
bonds (distance) C4'-P energy: -137.467
bonds (distance) P-C4' energy: -132.202
flat angles C4'-P-C4' energy: -152.607
flat angles P-C4'-P energy: -99.128
tors. eta vs tors. theta energy: -196.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2101.233327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.233327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.233327 (E_RNA)
where:
Base-Base interactions energy: -1450.957
where: short stacking energy: -614.341
Base-Backbone interact. energy: -1.625
local terms energy: -648.650733
where:
bonds (distance) C4'-P energy: -130.396
bonds (distance) P-C4' energy: -118.126
flat angles C4'-P-C4' energy: -141.018
flat angles P-C4'-P energy: -82.433
tors. eta vs tors. theta energy: -176.678
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: 258
Temperature: 1.050000
Total energy: -1972.107669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.107669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.107669 (E_RNA)
where:
Base-Base interactions energy: -1328.846
where: short stacking energy: -605.183
Base-Backbone interact. energy: -3.470
local terms energy: -639.791061
where:
bonds (distance) C4'-P energy: -116.431
bonds (distance) P-C4' energy: -121.381
flat angles C4'-P-C4' energy: -143.726
flat angles P-C4'-P energy: -88.912
tors. eta vs tors. theta energy: -169.341
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: 258
Temperature: 1.100000
Total energy: -1902.315464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.315464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.315464 (E_RNA)
where:
Base-Base interactions energy: -1318.888
where: short stacking energy: -516.072
Base-Backbone interact. energy: -0.734
local terms energy: -582.693247
where:
bonds (distance) C4'-P energy: -112.074
bonds (distance) P-C4' energy: -122.294
flat angles C4'-P-C4' energy: -121.595
flat angles P-C4'-P energy: -89.932
tors. eta vs tors. theta energy: -136.798
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: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1687.328141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.328141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.328141 (E_RNA)
where:
Base-Base interactions energy: -1093.412
where: short stacking energy: -483.436
Base-Backbone interact. energy: -3.261
local terms energy: -590.654879
where:
bonds (distance) C4'-P energy: -112.495
bonds (distance) P-C4' energy: -116.949
flat angles C4'-P-C4' energy: -146.786
flat angles P-C4'-P energy: -96.173
tors. eta vs tors. theta energy: -118.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1475.980091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.980091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.980091 (E_RNA)
where:
Base-Base interactions energy: -933.655
where: short stacking energy: -436.309
Base-Backbone interact. energy: 1.516
local terms energy: -543.841350
where:
bonds (distance) C4'-P energy: -114.111
bonds (distance) P-C4' energy: -120.414
flat angles C4'-P-C4' energy: -134.650
flat angles P-C4'-P energy: -77.402
tors. eta vs tors. theta energy: -97.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1185.457502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.457502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.457502 (E_RNA)
where:
Base-Base interactions energy: -729.456
where: short stacking energy: -332.469
Base-Backbone interact. energy: 0.829
local terms energy: -456.830515
where:
bonds (distance) C4'-P energy: -101.564
bonds (distance) P-C4' energy: -109.952
flat angles C4'-P-C4' energy: -93.377
flat angles P-C4'-P energy: -90.646
tors. eta vs tors. theta energy: -61.292
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: 258
Temperature: 1.300000
Total energy: -1028.142005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.142005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.142005 (E_RNA)
where:
Base-Base interactions energy: -634.643
where: short stacking energy: -293.081
Base-Backbone interact. energy: 1.446
local terms energy: -394.944548
where:
bonds (distance) C4'-P energy: -96.620
bonds (distance) P-C4' energy: -107.827
flat angles C4'-P-C4' energy: -93.714
flat angles P-C4'-P energy: -63.793
tors. eta vs tors. theta energy: -32.990
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: 258
Temperature: 1.350000
Total energy: -736.459025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.459025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.459025 (E_RNA)
where:
Base-Base interactions energy: -341.863
where: short stacking energy: -181.194
Base-Backbone interact. energy: -2.226
local terms energy: -392.369735
where:
bonds (distance) C4'-P energy: -125.948
bonds (distance) P-C4' energy: -108.631
flat angles C4'-P-C4' energy: -90.744
flat angles P-C4'-P energy: -54.379
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2305.260779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.260779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.260779 (E_RNA)
where:
Base-Base interactions energy: -1578.369
where: short stacking energy: -686.631
Base-Backbone interact. energy: -2.974
local terms energy: -723.918261
where:
bonds (distance) C4'-P energy: -136.808
bonds (distance) P-C4' energy: -125.353
flat angles C4'-P-C4' energy: -154.126
flat angles P-C4'-P energy: -95.262
tors. eta vs tors. theta energy: -212.369
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: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2210.247310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.247310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.247310 (E_RNA)
where:
Base-Base interactions energy: -1512.281
where: short stacking energy: -631.054
Base-Backbone interact. energy: 0.859
local terms energy: -698.824658
where:
bonds (distance) C4'-P energy: -123.999
bonds (distance) P-C4' energy: -138.503
flat angles C4'-P-C4' energy: -150.966
flat angles P-C4'-P energy: -96.214
tors. eta vs tors. theta energy: -189.142
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: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2116.143965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.143965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.143965 (E_RNA)
where:
Base-Base interactions energy: -1467.771
where: short stacking energy: -641.609
Base-Backbone interact. energy: -3.943
local terms energy: -644.429683
where:
bonds (distance) C4'-P energy: -128.522
bonds (distance) P-C4' energy: -123.607
flat angles C4'-P-C4' energy: -136.780
flat angles P-C4'-P energy: -84.797
tors. eta vs tors. theta energy: -170.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1967.944919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.944919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.944919 (E_RNA)
where:
Base-Base interactions energy: -1336.192
where: short stacking energy: -599.732
Base-Backbone interact. energy: -0.572
local terms energy: -631.180326
where:
bonds (distance) C4'-P energy: -120.324
bonds (distance) P-C4' energy: -109.586
flat angles C4'-P-C4' energy: -143.092
flat angles P-C4'-P energy: -91.381
tors. eta vs tors. theta energy: -166.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1877.293825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.293825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.293825 (E_RNA)
where:
Base-Base interactions energy: -1309.295
where: short stacking energy: -518.675
Base-Backbone interact. energy: 0.618
local terms energy: -568.616808
where:
bonds (distance) C4'-P energy: -107.605
bonds (distance) P-C4' energy: -131.399
flat angles C4'-P-C4' energy: -122.346
flat angles P-C4'-P energy: -79.083
tors. eta vs tors. theta energy: -128.184
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: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1726.556002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.556002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.556002 (E_RNA)
where:
Base-Base interactions energy: -1159.200
where: short stacking energy: -514.462
Base-Backbone interact. energy: -0.624
local terms energy: -566.731817
where:
bonds (distance) C4'-P energy: -111.342
bonds (distance) P-C4' energy: -106.275
flat angles C4'-P-C4' energy: -137.132
flat angles P-C4'-P energy: -78.840
tors. eta vs tors. theta energy: -133.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1489.849822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.849822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.849822 (E_RNA)
where:
Base-Base interactions energy: -954.558
where: short stacking energy: -455.363
Base-Backbone interact. energy: -0.851
local terms energy: -534.440844
where:
bonds (distance) C4'-P energy: -112.524
bonds (distance) P-C4' energy: -109.653
flat angles C4'-P-C4' energy: -125.079
flat angles P-C4'-P energy: -83.116
tors. eta vs tors. theta energy: -104.070
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: 259
Temperature: 1.250000
Total energy: -1233.586158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.586158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.586158 (E_RNA)
where:
Base-Base interactions energy: -776.717
where: short stacking energy: -370.390
Base-Backbone interact. energy: -2.729
local terms energy: -454.139945
where:
bonds (distance) C4'-P energy: -101.455
bonds (distance) P-C4' energy: -120.673
flat angles C4'-P-C4' energy: -100.340
flat angles P-C4'-P energy: -60.587
tors. eta vs tors. theta energy: -71.086
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: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -950.150190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.150190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.150190 (E_RNA)
where:
Base-Base interactions energy: -522.850
where: short stacking energy: -249.678
Base-Backbone interact. energy: 2.785
local terms energy: -430.084861
where:
bonds (distance) C4'-P energy: -106.102
bonds (distance) P-C4' energy: -136.304
flat angles C4'-P-C4' energy: -107.027
flat angles P-C4'-P energy: -54.656
tors. eta vs tors. theta energy: -25.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -696.705825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.705825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.705825 (E_RNA)
where:
Base-Base interactions energy: -360.473
where: short stacking energy: -222.282
Base-Backbone interact. energy: 2.007
local terms energy: -338.239851
where:
bonds (distance) C4'-P energy: -83.764
bonds (distance) P-C4' energy: -103.657
flat angles C4'-P-C4' energy: -83.254
flat angles P-C4'-P energy: -58.411
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2295.511318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.511318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.511318 (E_RNA)
where:
Base-Base interactions energy: -1549.082
where: short stacking energy: -688.875
Base-Backbone interact. energy: -0.436
local terms energy: -745.993835
where:
bonds (distance) C4'-P energy: -131.659
bonds (distance) P-C4' energy: -149.459
flat angles C4'-P-C4' energy: -154.075
flat angles P-C4'-P energy: -106.637
tors. eta vs tors. theta energy: -204.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2215.492920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.492920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.492920 (E_RNA)
where:
Base-Base interactions energy: -1521.233
where: short stacking energy: -664.883
Base-Backbone interact. energy: 2.573
local terms energy: -696.832415
where:
bonds (distance) C4'-P energy: -132.405
bonds (distance) P-C4' energy: -118.320
flat angles C4'-P-C4' energy: -147.960
flat angles P-C4'-P energy: -104.557
tors. eta vs tors. theta energy: -193.590
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: 260
Temperature: 1.000000
Total energy: -2106.571909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.571909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.571909 (E_RNA)
where:
Base-Base interactions energy: -1439.298
where: short stacking energy: -613.805
Base-Backbone interact. energy: -2.768
local terms energy: -664.505886
where:
bonds (distance) C4'-P energy: -119.438
bonds (distance) P-C4' energy: -129.906
flat angles C4'-P-C4' energy: -142.438
flat angles P-C4'-P energy: -93.858
tors. eta vs tors. theta energy: -178.866
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: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2005.971563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.971563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.971563 (E_RNA)
where:
Base-Base interactions energy: -1349.106
where: short stacking energy: -617.657
Base-Backbone interact. energy: 1.233
local terms energy: -658.099351
where:
bonds (distance) C4'-P energy: -111.655
bonds (distance) P-C4' energy: -127.637
flat angles C4'-P-C4' energy: -139.509
flat angles P-C4'-P energy: -96.973
tors. eta vs tors. theta energy: -182.325
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: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1892.764686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.764686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.764686 (E_RNA)
where:
Base-Base interactions energy: -1310.966
where: short stacking energy: -519.880
Base-Backbone interact. energy: 5.481
local terms energy: -587.279817
where:
bonds (distance) C4'-P energy: -120.494
bonds (distance) P-C4' energy: -128.677
flat angles C4'-P-C4' energy: -114.836
flat angles P-C4'-P energy: -90.351
tors. eta vs tors. theta energy: -132.922
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: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1762.787266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.787266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.787266 (E_RNA)
where:
Base-Base interactions energy: -1172.667
where: short stacking energy: -516.447
Base-Backbone interact. energy: 2.906
local terms energy: -593.025996
where:
bonds (distance) C4'-P energy: -107.070
bonds (distance) P-C4' energy: -120.895
flat angles C4'-P-C4' energy: -134.799
flat angles P-C4'-P energy: -95.509
tors. eta vs tors. theta energy: -134.752
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: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1498.474778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.474778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.474778 (E_RNA)
where:
Base-Base interactions energy: -959.495
where: short stacking energy: -431.255
Base-Backbone interact. energy: -3.836
local terms energy: -535.144258
where:
bonds (distance) C4'-P energy: -116.704
bonds (distance) P-C4' energy: -101.398
flat angles C4'-P-C4' energy: -131.774
flat angles P-C4'-P energy: -91.618
tors. eta vs tors. theta energy: -93.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1285.741643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.741643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.741643 (E_RNA)
where:
Base-Base interactions energy: -747.939
where: short stacking energy: -355.214
Base-Backbone interact. energy: -1.361
local terms energy: -536.441332
where:
bonds (distance) C4'-P energy: -122.852
bonds (distance) P-C4' energy: -129.186
flat angles C4'-P-C4' energy: -127.181
flat angles P-C4'-P energy: -81.327
tors. eta vs tors. theta energy: -75.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -974.434939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.434939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.434939 (E_RNA)
where:
Base-Base interactions energy: -555.290
where: short stacking energy: -295.306
Base-Backbone interact. energy: 1.918
local terms energy: -421.062866
where:
bonds (distance) C4'-P energy: -112.224
bonds (distance) P-C4' energy: -123.841
flat angles C4'-P-C4' energy: -99.485
flat angles P-C4'-P energy: -47.982
tors. eta vs tors. theta energy: -37.531
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: 260
Temperature: 1.350000
Total energy: -730.545503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.545503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.545503 (E_RNA)
where:
Base-Base interactions energy: -363.303
where: short stacking energy: -211.184
Base-Backbone interact. energy: 0.109
local terms energy: -367.351975
where:
bonds (distance) C4'-P energy: -94.721
bonds (distance) P-C4' energy: -124.116
flat angles C4'-P-C4' energy: -86.557
flat angles P-C4'-P energy: -48.554
tors. eta vs tors. theta energy: -13.404
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: 261
Temperature: 0.900000
Total energy: -2297.296005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.296005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.296005 (E_RNA)
where:
Base-Base interactions energy: -1569.350
where: short stacking energy: -684.155
Base-Backbone interact. energy: -0.394
local terms energy: -727.552007
where:
bonds (distance) C4'-P energy: -134.477
bonds (distance) P-C4' energy: -137.385
flat angles C4'-P-C4' energy: -150.144
flat angles P-C4'-P energy: -100.259
tors. eta vs tors. theta energy: -205.288
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: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2235.898921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.898921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.898921 (E_RNA)
where:
Base-Base interactions energy: -1522.733
where: short stacking energy: -678.917
Base-Backbone interact. energy: 2.613
local terms energy: -715.777932
where:
bonds (distance) C4'-P energy: -131.628
bonds (distance) P-C4' energy: -130.724
flat angles C4'-P-C4' energy: -150.480
flat angles P-C4'-P energy: -97.933
tors. eta vs tors. theta energy: -205.014
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: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2068.298365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.298365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.298365 (E_RNA)
where:
Base-Base interactions energy: -1416.360
where: short stacking energy: -573.338
Base-Backbone interact. energy: -3.842
local terms energy: -648.096648
where:
bonds (distance) C4'-P energy: -125.277
bonds (distance) P-C4' energy: -134.712
flat angles C4'-P-C4' energy: -134.868
flat angles P-C4'-P energy: -90.954
tors. eta vs tors. theta energy: -162.286
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: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2008.089272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.089272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.089272 (E_RNA)
where:
Base-Base interactions energy: -1354.378
where: short stacking energy: -595.285
Base-Backbone interact. energy: -2.518
local terms energy: -651.193805
where:
bonds (distance) C4'-P energy: -137.384
bonds (distance) P-C4' energy: -124.864
flat angles C4'-P-C4' energy: -134.881
flat angles P-C4'-P energy: -82.357
tors. eta vs tors. theta energy: -171.708
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: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1887.324350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.324350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.324350 (E_RNA)
where:
Base-Base interactions energy: -1288.534
where: short stacking energy: -531.406
Base-Backbone interact. energy: 5.997
local terms energy: -604.787555
where:
bonds (distance) C4'-P energy: -118.565
bonds (distance) P-C4' energy: -118.778
flat angles C4'-P-C4' energy: -150.007
flat angles P-C4'-P energy: -79.092
tors. eta vs tors. theta energy: -138.345
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: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1768.669749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.669749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.669749 (E_RNA)
where:
Base-Base interactions energy: -1187.534
where: short stacking energy: -530.602
Base-Backbone interact. energy: -1.864
local terms energy: -579.272456
where:
bonds (distance) C4'-P energy: -99.928
bonds (distance) P-C4' energy: -113.018
flat angles C4'-P-C4' energy: -122.281
flat angles P-C4'-P energy: -100.107
tors. eta vs tors. theta energy: -143.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1510.642346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.642346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.642346 (E_RNA)
where:
Base-Base interactions energy: -961.252
where: short stacking energy: -439.018
Base-Backbone interact. energy: -2.626
local terms energy: -546.764599
where:
bonds (distance) C4'-P energy: -116.633
bonds (distance) P-C4' energy: -114.355
flat angles C4'-P-C4' energy: -122.762
flat angles P-C4'-P energy: -78.403
tors. eta vs tors. theta energy: -114.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1266.114786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.114786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.114786 (E_RNA)
where:
Base-Base interactions energy: -789.595
where: short stacking energy: -360.426
Base-Backbone interact. energy: -0.638
local terms energy: -475.881799
where:
bonds (distance) C4'-P energy: -94.850
bonds (distance) P-C4' energy: -116.528
flat angles C4'-P-C4' energy: -121.594
flat angles P-C4'-P energy: -67.571
tors. eta vs tors. theta energy: -75.340
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: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -974.401074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.401074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.401074 (E_RNA)
where:
Base-Base interactions energy: -564.429
where: short stacking energy: -271.792
Base-Backbone interact. energy: -0.247
local terms energy: -409.725217
where:
bonds (distance) C4'-P energy: -116.066
bonds (distance) P-C4' energy: -107.499
flat angles C4'-P-C4' energy: -99.293
flat angles P-C4'-P energy: -58.506
tors. eta vs tors. theta energy: -28.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -719.790789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.790789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.790789 (E_RNA)
where:
Base-Base interactions energy: -360.511
where: short stacking energy: -197.299
Base-Backbone interact. energy: 10.170
local terms energy: -369.449819
where:
bonds (distance) C4'-P energy: -96.071
bonds (distance) P-C4' energy: -120.183
flat angles C4'-P-C4' energy: -100.714
flat angles P-C4'-P energy: -60.691
tors. eta vs tors. theta energy: 8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2292.860733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.860733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.860733 (E_RNA)
where:
Base-Base interactions energy: -1555.030
where: short stacking energy: -675.356
Base-Backbone interact. energy: 1.342
local terms energy: -739.172522
where:
bonds (distance) C4'-P energy: -143.425
bonds (distance) P-C4' energy: -138.101
flat angles C4'-P-C4' energy: -151.821
flat angles P-C4'-P energy: -98.157
tors. eta vs tors. theta energy: -207.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2236.085857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.085857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.085857 (E_RNA)
where:
Base-Base interactions energy: -1508.628
where: short stacking energy: -693.045
Base-Backbone interact. energy: -2.516
local terms energy: -724.942351
where:
bonds (distance) C4'-P energy: -131.328
bonds (distance) P-C4' energy: -129.276
flat angles C4'-P-C4' energy: -154.079
flat angles P-C4'-P energy: -104.381
tors. eta vs tors. theta energy: -205.877
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: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2064.431070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.431070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.431070 (E_RNA)
where:
Base-Base interactions energy: -1424.569
where: short stacking energy: -580.965
Base-Backbone interact. energy: -3.524
local terms energy: -636.338405
where:
bonds (distance) C4'-P energy: -127.294
bonds (distance) P-C4' energy: -116.382
flat angles C4'-P-C4' energy: -138.483
flat angles P-C4'-P energy: -90.169
tors. eta vs tors. theta energy: -164.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1984.568384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.568384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.568384 (E_RNA)
where:
Base-Base interactions energy: -1337.957
where: short stacking energy: -594.215
Base-Backbone interact. energy: -1.917
local terms energy: -644.694300
where:
bonds (distance) C4'-P energy: -119.194
bonds (distance) P-C4' energy: -114.437
flat angles C4'-P-C4' energy: -148.269
flat angles P-C4'-P energy: -85.946
tors. eta vs tors. theta energy: -176.848
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: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1890.427344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.427344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.427344 (E_RNA)
where:
Base-Base interactions energy: -1276.573
where: short stacking energy: -542.307
Base-Backbone interact. energy: -4.531
local terms energy: -609.323018
where:
bonds (distance) C4'-P energy: -130.718
bonds (distance) P-C4' energy: -105.289
flat angles C4'-P-C4' energy: -139.048
flat angles P-C4'-P energy: -90.157
tors. eta vs tors. theta energy: -144.112
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: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1772.638655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.638655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.638655 (E_RNA)
where:
Base-Base interactions energy: -1194.692
where: short stacking energy: -491.755
Base-Backbone interact. energy: 1.676
local terms energy: -579.623327
where:
bonds (distance) C4'-P energy: -105.439
bonds (distance) P-C4' energy: -132.255
flat angles C4'-P-C4' energy: -136.368
flat angles P-C4'-P energy: -79.916
tors. eta vs tors. theta energy: -125.645
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: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1518.678340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.678340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.678340 (E_RNA)
where:
Base-Base interactions energy: -985.585
where: short stacking energy: -454.353
Base-Backbone interact. energy: -1.548
local terms energy: -531.545533
where:
bonds (distance) C4'-P energy: -118.046
bonds (distance) P-C4' energy: -110.470
flat angles C4'-P-C4' energy: -122.486
flat angles P-C4'-P energy: -68.116
tors. eta vs tors. theta energy: -112.427
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: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1305.762271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.762271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.762271 (E_RNA)
where:
Base-Base interactions energy: -837.649
where: short stacking energy: -375.056
Base-Backbone interact. energy: -0.271
local terms energy: -467.842982
where:
bonds (distance) C4'-P energy: -107.110
bonds (distance) P-C4' energy: -113.272
flat angles C4'-P-C4' energy: -108.859
flat angles P-C4'-P energy: -67.886
tors. eta vs tors. theta energy: -70.716
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: 262
Temperature: 1.300000
Total energy: -989.188093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.188093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.188093 (E_RNA)
where:
Base-Base interactions energy: -575.718
where: short stacking energy: -266.574
Base-Backbone interact. energy: -1.925
local terms energy: -411.544797
where:
bonds (distance) C4'-P energy: -108.889
bonds (distance) P-C4' energy: -113.623
flat angles C4'-P-C4' energy: -93.030
flat angles P-C4'-P energy: -65.684
tors. eta vs tors. theta energy: -30.318
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: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -721.836196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.836196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.836196 (E_RNA)
where:
Base-Base interactions energy: -376.705
where: short stacking energy: -227.528
Base-Backbone interact. energy: -0.022
local terms energy: -345.109135
where:
bonds (distance) C4'-P energy: -96.115
bonds (distance) P-C4' energy: -95.558
flat angles C4'-P-C4' energy: -92.316
flat angles P-C4'-P energy: -64.131
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: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2278.228076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.228076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.228076 (E_RNA)
where:
Base-Base interactions energy: -1536.835
where: short stacking energy: -696.762
Base-Backbone interact. energy: -2.764
local terms energy: -738.629738
where:
bonds (distance) C4'-P energy: -138.922
bonds (distance) P-C4' energy: -133.603
flat angles C4'-P-C4' energy: -151.820
flat angles P-C4'-P energy: -106.106
tors. eta vs tors. theta energy: -208.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2203.789268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.789268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.789268 (E_RNA)
where:
Base-Base interactions energy: -1495.457
where: short stacking energy: -657.943
Base-Backbone interact. energy: -1.114
local terms energy: -707.217469
where:
bonds (distance) C4'-P energy: -127.839
bonds (distance) P-C4' energy: -135.088
flat angles C4'-P-C4' energy: -149.793
flat angles P-C4'-P energy: -102.327
tors. eta vs tors. theta energy: -192.171
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: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2061.279454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.279454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.279454 (E_RNA)
where:
Base-Base interactions energy: -1416.005
where: short stacking energy: -597.968
Base-Backbone interact. energy: -3.707
local terms energy: -641.567541
where:
bonds (distance) C4'-P energy: -122.352
bonds (distance) P-C4' energy: -120.946
flat angles C4'-P-C4' energy: -136.040
flat angles P-C4'-P energy: -94.969
tors. eta vs tors. theta energy: -167.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1979.685118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.685118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.685118 (E_RNA)
where:
Base-Base interactions energy: -1356.258
where: short stacking energy: -611.285
Base-Backbone interact. energy: -2.616
local terms energy: -620.811036
where:
bonds (distance) C4'-P energy: -107.940
bonds (distance) P-C4' energy: -119.649
flat angles C4'-P-C4' energy: -140.066
flat angles P-C4'-P energy: -89.016
tors. eta vs tors. theta energy: -164.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1886.742609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.742609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.742609 (E_RNA)
where:
Base-Base interactions energy: -1315.452
where: short stacking energy: -539.842
Base-Backbone interact. energy: -1.019
local terms energy: -570.271503
where:
bonds (distance) C4'-P energy: -116.561
bonds (distance) P-C4' energy: -124.019
flat angles C4'-P-C4' energy: -120.122
flat angles P-C4'-P energy: -67.540
tors. eta vs tors. theta energy: -142.029
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: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1796.115732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.115732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.115732 (E_RNA)
where:
Base-Base interactions energy: -1217.514
where: short stacking energy: -547.110
Base-Backbone interact. energy: -2.670
local terms energy: -575.931403
where:
bonds (distance) C4'-P energy: -109.018
bonds (distance) P-C4' energy: -107.713
flat angles C4'-P-C4' energy: -129.682
flat angles P-C4'-P energy: -85.828
tors. eta vs tors. theta energy: -143.689
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: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1533.881093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.881093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.881093 (E_RNA)
where:
Base-Base interactions energy: -1019.120
where: short stacking energy: -440.295
Base-Backbone interact. energy: -2.842
local terms energy: -511.918369
where:
bonds (distance) C4'-P energy: -127.758
bonds (distance) P-C4' energy: -101.996
flat angles C4'-P-C4' energy: -113.039
flat angles P-C4'-P energy: -71.066
tors. eta vs tors. theta energy: -98.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1273.221488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.221488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.221488 (E_RNA)
where:
Base-Base interactions energy: -780.351
where: short stacking energy: -382.112
Base-Backbone interact. energy: 0.521
local terms energy: -493.391907
where:
bonds (distance) C4'-P energy: -115.441
bonds (distance) P-C4' energy: -120.509
flat angles C4'-P-C4' energy: -112.013
flat angles P-C4'-P energy: -64.673
tors. eta vs tors. theta energy: -80.756
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: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1003.968923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.968923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.968923 (E_RNA)
where:
Base-Base interactions energy: -563.922
where: short stacking energy: -277.416
Base-Backbone interact. energy: 0.258
local terms energy: -440.304637
where:
bonds (distance) C4'-P energy: -106.369
bonds (distance) P-C4' energy: -119.864
flat angles C4'-P-C4' energy: -82.368
flat angles P-C4'-P energy: -67.632
tors. eta vs tors. theta energy: -64.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -715.373074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.373074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.373074 (E_RNA)
where:
Base-Base interactions energy: -372.802
where: short stacking energy: -205.434
Base-Backbone interact. energy: 6.893
local terms energy: -349.464830
where:
bonds (distance) C4'-P energy: -109.186
bonds (distance) P-C4' energy: -105.228
flat angles C4'-P-C4' energy: -100.793
flat angles P-C4'-P energy: -50.239
tors. eta vs tors. theta energy: 15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2305.000770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.000770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.000770 (E_RNA)
where:
Base-Base interactions energy: -1567.534
where: short stacking energy: -704.532
Base-Backbone interact. energy: 0.066
local terms energy: -737.533003
where:
bonds (distance) C4'-P energy: -125.588
bonds (distance) P-C4' energy: -139.767
flat angles C4'-P-C4' energy: -155.251
flat angles P-C4'-P energy: -101.975
tors. eta vs tors. theta energy: -214.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2229.747676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.747676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.747676 (E_RNA)
where:
Base-Base interactions energy: -1505.296
where: short stacking energy: -672.818
Base-Backbone interact. energy: -1.062
local terms energy: -723.389775
where:
bonds (distance) C4'-P energy: -121.825
bonds (distance) P-C4' energy: -122.736
flat angles C4'-P-C4' energy: -164.612
flat angles P-C4'-P energy: -99.887
tors. eta vs tors. theta energy: -214.329
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: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2081.365401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.365401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.365401 (E_RNA)
where:
Base-Base interactions energy: -1432.956
where: short stacking energy: -605.759
Base-Backbone interact. energy: -3.442
local terms energy: -644.966942
where:
bonds (distance) C4'-P energy: -117.049
bonds (distance) P-C4' energy: -137.586
flat angles C4'-P-C4' energy: -141.096
flat angles P-C4'-P energy: -81.203
tors. eta vs tors. theta energy: -168.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1958.717427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.717427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.717427 (E_RNA)
where:
Base-Base interactions energy: -1321.224
where: short stacking energy: -583.031
Base-Backbone interact. energy: -3.869
local terms energy: -633.624687
where:
bonds (distance) C4'-P energy: -101.826
bonds (distance) P-C4' energy: -124.066
flat angles C4'-P-C4' energy: -134.988
flat angles P-C4'-P energy: -108.170
tors. eta vs tors. theta energy: -164.574
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: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1871.573305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.573305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.573305 (E_RNA)
where:
Base-Base interactions energy: -1273.686
where: short stacking energy: -528.145
Base-Backbone interact. energy: -0.991
local terms energy: -596.895601
where:
bonds (distance) C4'-P energy: -104.275
bonds (distance) P-C4' energy: -129.517
flat angles C4'-P-C4' energy: -139.905
flat angles P-C4'-P energy: -84.776
tors. eta vs tors. theta energy: -138.422
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: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1827.302643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.302643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.302643 (E_RNA)
where:
Base-Base interactions energy: -1235.002
where: short stacking energy: -540.711
Base-Backbone interact. energy: 1.026
local terms energy: -593.327435
where:
bonds (distance) C4'-P energy: -104.143
bonds (distance) P-C4' energy: -117.878
flat angles C4'-P-C4' energy: -124.685
flat angles P-C4'-P energy: -92.684
tors. eta vs tors. theta energy: -153.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1533.989661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.989661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.989661 (E_RNA)
where:
Base-Base interactions energy: -1018.701
where: short stacking energy: -423.870
Base-Backbone interact. energy: -1.722
local terms energy: -513.567024
where:
bonds (distance) C4'-P energy: -121.986
bonds (distance) P-C4' energy: -120.837
flat angles C4'-P-C4' energy: -106.401
flat angles P-C4'-P energy: -70.597
tors. eta vs tors. theta energy: -93.746
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: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1211.646447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.646447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.646447 (E_RNA)
where:
Base-Base interactions energy: -765.463
where: short stacking energy: -350.062
Base-Backbone interact. energy: -0.791
local terms energy: -445.392290
where:
bonds (distance) C4'-P energy: -98.071
bonds (distance) P-C4' energy: -136.153
flat angles C4'-P-C4' energy: -95.184
flat angles P-C4'-P energy: -62.336
tors. eta vs tors. theta energy: -53.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -989.303562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.303562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.303562 (E_RNA)
where:
Base-Base interactions energy: -571.613
where: short stacking energy: -278.840
Base-Backbone interact. energy: -0.520
local terms energy: -417.170601
where:
bonds (distance) C4'-P energy: -101.419
bonds (distance) P-C4' energy: -103.077
flat angles C4'-P-C4' energy: -104.611
flat angles P-C4'-P energy: -85.171
tors. eta vs tors. theta energy: -22.892
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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -732.114210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.114210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.114210 (E_RNA)
where:
Base-Base interactions energy: -359.643
where: short stacking energy: -207.951
Base-Backbone interact. energy: -0.025
local terms energy: -372.446739
where:
bonds (distance) C4'-P energy: -101.316
bonds (distance) P-C4' energy: -100.611
flat angles C4'-P-C4' energy: -99.087
flat angles P-C4'-P energy: -67.459
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: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2304.340431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.340431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.340431 (E_RNA)
where:
Base-Base interactions energy: -1586.441
where: short stacking energy: -684.812
Base-Backbone interact. energy: 2.906
local terms energy: -720.805390
where:
bonds (distance) C4'-P energy: -123.172
bonds (distance) P-C4' energy: -124.682
flat angles C4'-P-C4' energy: -160.189
flat angles P-C4'-P energy: -109.994
tors. eta vs tors. theta energy: -202.768
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: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2233.571198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.571198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.571198 (E_RNA)
where:
Base-Base interactions energy: -1538.028
where: short stacking energy: -688.750
Base-Backbone interact. energy: -1.993
local terms energy: -693.550194
where:
bonds (distance) C4'-P energy: -117.131
bonds (distance) P-C4' energy: -126.067
flat angles C4'-P-C4' energy: -145.419
flat angles P-C4'-P energy: -99.454
tors. eta vs tors. theta energy: -205.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2134.119790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.119790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.119790 (E_RNA)
where:
Base-Base interactions energy: -1468.617
where: short stacking energy: -608.106
Base-Backbone interact. energy: -2.449
local terms energy: -663.054475
where:
bonds (distance) C4'-P energy: -118.781
bonds (distance) P-C4' energy: -136.177
flat angles C4'-P-C4' energy: -141.123
flat angles P-C4'-P energy: -102.141
tors. eta vs tors. theta energy: -164.833
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: 265
Temperature: 1.050000
Total energy: -1925.903318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.903318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.903318 (E_RNA)
where:
Base-Base interactions energy: -1322.793
where: short stacking energy: -528.456
Base-Backbone interact. energy: -2.595
local terms energy: -600.515504
where:
bonds (distance) C4'-P energy: -115.569
bonds (distance) P-C4' energy: -126.444
flat angles C4'-P-C4' energy: -131.779
flat angles P-C4'-P energy: -86.157
tors. eta vs tors. theta energy: -140.566
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: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1896.450255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.450255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.450255 (E_RNA)
where:
Base-Base interactions energy: -1253.345
where: short stacking energy: -582.543
Base-Backbone interact. energy: 6.150
local terms energy: -649.255101
where:
bonds (distance) C4'-P energy: -126.689
bonds (distance) P-C4' energy: -122.405
flat angles C4'-P-C4' energy: -137.233
flat angles P-C4'-P energy: -99.688
tors. eta vs tors. theta energy: -163.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1816.010758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.010758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.010758 (E_RNA)
where:
Base-Base interactions energy: -1261.295
where: short stacking energy: -530.919
Base-Backbone interact. energy: -0.662
local terms energy: -554.053571
where:
bonds (distance) C4'-P energy: -106.245
bonds (distance) P-C4' energy: -111.450
flat angles C4'-P-C4' energy: -113.041
flat angles P-C4'-P energy: -83.644
tors. eta vs tors. theta energy: -139.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1533.800433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.800433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.800433 (E_RNA)
where:
Base-Base interactions energy: -1000.848
where: short stacking energy: -440.026
Base-Backbone interact. energy: -2.066
local terms energy: -530.886712
where:
bonds (distance) C4'-P energy: -99.696
bonds (distance) P-C4' energy: -122.294
flat angles C4'-P-C4' energy: -125.859
flat angles P-C4'-P energy: -70.680
tors. eta vs tors. theta energy: -112.357
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: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1171.350231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.350231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.350231 (E_RNA)
where:
Base-Base interactions energy: -714.192
where: short stacking energy: -327.717
Base-Backbone interact. energy: 0.852
local terms energy: -458.010269
where:
bonds (distance) C4'-P energy: -105.407
bonds (distance) P-C4' energy: -113.879
flat angles C4'-P-C4' energy: -113.430
flat angles P-C4'-P energy: -55.660
tors. eta vs tors. theta energy: -69.634
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: 265
Temperature: 1.300000
Total energy: -944.836129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.836129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.836129 (E_RNA)
where:
Base-Base interactions energy: -539.547
where: short stacking energy: -256.996
Base-Backbone interact. energy: 4.596
local terms energy: -409.884513
where:
bonds (distance) C4'-P energy: -104.833
bonds (distance) P-C4' energy: -114.037
flat angles C4'-P-C4' energy: -104.558
flat angles P-C4'-P energy: -51.079
tors. eta vs tors. theta energy: -35.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -744.734374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.734374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.734374 (E_RNA)
where:
Base-Base interactions energy: -382.618
where: short stacking energy: -204.834
Base-Backbone interact. energy: 4.524
local terms energy: -366.640684
where:
bonds (distance) C4'-P energy: -101.579
bonds (distance) P-C4' energy: -114.609
flat angles C4'-P-C4' energy: -98.628
flat angles P-C4'-P energy: -43.374
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2309.831439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.831439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.831439 (E_RNA)
where:
Base-Base interactions energy: -1580.284
where: short stacking energy: -687.420
Base-Backbone interact. energy: -0.738
local terms energy: -728.809435
where:
bonds (distance) C4'-P energy: -124.201
bonds (distance) P-C4' energy: -138.913
flat angles C4'-P-C4' energy: -149.232
flat angles P-C4'-P energy: -112.287
tors. eta vs tors. theta energy: -204.177
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: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2202.442592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.442592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.442592 (E_RNA)
where:
Base-Base interactions energy: -1467.851
where: short stacking energy: -664.434
Base-Backbone interact. energy: 0.187
local terms energy: -734.779081
where:
bonds (distance) C4'-P energy: -140.463
bonds (distance) P-C4' energy: -133.764
flat angles C4'-P-C4' energy: -151.543
flat angles P-C4'-P energy: -102.045
tors. eta vs tors. theta energy: -206.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2074.290286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.290286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.290286 (E_RNA)
where:
Base-Base interactions energy: -1428.213
where: short stacking energy: -612.614
Base-Backbone interact. energy: -3.109
local terms energy: -642.968299
where:
bonds (distance) C4'-P energy: -120.125
bonds (distance) P-C4' energy: -123.421
flat angles C4'-P-C4' energy: -144.801
flat angles P-C4'-P energy: -89.039
tors. eta vs tors. theta energy: -165.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1930.555077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.555077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.555077 (E_RNA)
where:
Base-Base interactions energy: -1321.039
where: short stacking energy: -538.036
Base-Backbone interact. energy: -3.128
local terms energy: -606.387407
where:
bonds (distance) C4'-P energy: -115.030
bonds (distance) P-C4' energy: -118.816
flat angles C4'-P-C4' energy: -134.064
flat angles P-C4'-P energy: -87.451
tors. eta vs tors. theta energy: -151.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1894.925640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.925640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.925640 (E_RNA)
where:
Base-Base interactions energy: -1268.835
where: short stacking energy: -564.865
Base-Backbone interact. energy: -0.609
local terms energy: -625.481383
where:
bonds (distance) C4'-P energy: -120.670
bonds (distance) P-C4' energy: -111.922
flat angles C4'-P-C4' energy: -143.084
flat angles P-C4'-P energy: -91.939
tors. eta vs tors. theta energy: -157.866
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: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1833.975608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.975608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.975608 (E_RNA)
where:
Base-Base interactions energy: -1269.271
where: short stacking energy: -556.385
Base-Backbone interact. energy: -1.249
local terms energy: -563.456263
where:
bonds (distance) C4'-P energy: -88.681
bonds (distance) P-C4' energy: -98.760
flat angles C4'-P-C4' energy: -136.287
flat angles P-C4'-P energy: -80.683
tors. eta vs tors. theta energy: -159.046
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: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1443.309826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.309826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.309826 (E_RNA)
where:
Base-Base interactions energy: -934.997
where: short stacking energy: -427.519
Base-Backbone interact. energy: -1.494
local terms energy: -506.819372
where:
bonds (distance) C4'-P energy: -99.565
bonds (distance) P-C4' energy: -108.824
flat angles C4'-P-C4' energy: -131.880
flat angles P-C4'-P energy: -71.196
tors. eta vs tors. theta energy: -95.354
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: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1275.186711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.186711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.186711 (E_RNA)
where:
Base-Base interactions energy: -793.976
where: short stacking energy: -383.909
Base-Backbone interact. energy: -2.302
local terms energy: -478.908358
where:
bonds (distance) C4'-P energy: -93.136
bonds (distance) P-C4' energy: -115.333
flat angles C4'-P-C4' energy: -126.765
flat angles P-C4'-P energy: -66.306
tors. eta vs tors. theta energy: -77.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -943.488197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.488197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.488197 (E_RNA)
where:
Base-Base interactions energy: -536.782
where: short stacking energy: -266.584
Base-Backbone interact. energy: 3.637
local terms energy: -410.343411
where:
bonds (distance) C4'-P energy: -108.215
bonds (distance) P-C4' energy: -111.658
flat angles C4'-P-C4' energy: -104.413
flat angles P-C4'-P energy: -72.353
tors. eta vs tors. theta energy: -13.705
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: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -730.613098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.613098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.613098 (E_RNA)
where:
Base-Base interactions energy: -368.820
where: short stacking energy: -214.574
Base-Backbone interact. energy: 1.633
local terms energy: -363.426154
where:
bonds (distance) C4'-P energy: -98.317
bonds (distance) P-C4' energy: -109.020
flat angles C4'-P-C4' energy: -90.843
flat angles P-C4'-P energy: -55.979
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: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2288.283830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.283830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.283830 (E_RNA)
where:
Base-Base interactions energy: -1576.803
where: short stacking energy: -672.266
Base-Backbone interact. energy: -2.622
local terms energy: -708.858118
where:
bonds (distance) C4'-P energy: -133.293
bonds (distance) P-C4' energy: -113.622
flat angles C4'-P-C4' energy: -144.952
flat angles P-C4'-P energy: -108.996
tors. eta vs tors. theta energy: -207.994
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: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2208.071228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.071228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.071228 (E_RNA)
where:
Base-Base interactions energy: -1533.771
where: short stacking energy: -667.849
Base-Backbone interact. energy: -0.141
local terms energy: -674.159686
where:
bonds (distance) C4'-P energy: -114.866
bonds (distance) P-C4' energy: -134.475
flat angles C4'-P-C4' energy: -143.000
flat angles P-C4'-P energy: -92.667
tors. eta vs tors. theta energy: -189.153
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: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2111.164819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.164819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.164819 (E_RNA)
where:
Base-Base interactions energy: -1459.404
where: short stacking energy: -622.942
Base-Backbone interact. energy: -3.438
local terms energy: -648.322927
where:
bonds (distance) C4'-P energy: -120.652
bonds (distance) P-C4' energy: -128.846
flat angles C4'-P-C4' energy: -135.974
flat angles P-C4'-P energy: -95.794
tors. eta vs tors. theta energy: -167.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1992.141404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.141404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.141404 (E_RNA)
where:
Base-Base interactions energy: -1343.292
where: short stacking energy: -614.471
Base-Backbone interact. energy: -2.122
local terms energy: -646.728144
where:
bonds (distance) C4'-P energy: -119.165
bonds (distance) P-C4' energy: -126.806
flat angles C4'-P-C4' energy: -147.333
flat angles P-C4'-P energy: -85.266
tors. eta vs tors. theta energy: -168.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1957.262526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.262526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.262526 (E_RNA)
where:
Base-Base interactions energy: -1331.891
where: short stacking energy: -528.915
Base-Backbone interact. energy: -5.404
local terms energy: -619.966615
where:
bonds (distance) C4'-P energy: -126.555
bonds (distance) P-C4' energy: -119.956
flat angles C4'-P-C4' energy: -147.104
flat angles P-C4'-P energy: -85.485
tors. eta vs tors. theta energy: -140.867
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: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1790.009890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.009890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.009890 (E_RNA)
where:
Base-Base interactions energy: -1196.634
where: short stacking energy: -541.031
Base-Backbone interact. energy: -2.699
local terms energy: -590.676005
where:
bonds (distance) C4'-P energy: -113.429
bonds (distance) P-C4' energy: -116.147
flat angles C4'-P-C4' energy: -125.736
flat angles P-C4'-P energy: -79.267
tors. eta vs tors. theta energy: -156.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1401.604158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.604158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.604158 (E_RNA)
where:
Base-Base interactions energy: -910.401
where: short stacking energy: -401.628
Base-Backbone interact. energy: 0.714
local terms energy: -491.916943
where:
bonds (distance) C4'-P energy: -122.948
bonds (distance) P-C4' energy: -102.335
flat angles C4'-P-C4' energy: -120.290
flat angles P-C4'-P energy: -74.042
tors. eta vs tors. theta energy: -72.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1327.554315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.554315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.554315 (E_RNA)
where:
Base-Base interactions energy: -846.084
where: short stacking energy: -388.984
Base-Backbone interact. energy: -1.393
local terms energy: -480.077219
where:
bonds (distance) C4'-P energy: -113.667
bonds (distance) P-C4' energy: -115.021
flat angles C4'-P-C4' energy: -101.114
flat angles P-C4'-P energy: -72.441
tors. eta vs tors. theta energy: -77.835
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: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -965.270131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.270131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.270131 (E_RNA)
where:
Base-Base interactions energy: -564.388
where: short stacking energy: -266.385
Base-Backbone interact. energy: -1.502
local terms energy: -399.380251
where:
bonds (distance) C4'-P energy: -103.459
bonds (distance) P-C4' energy: -122.176
flat angles C4'-P-C4' energy: -97.569
flat angles P-C4'-P energy: -42.684
tors. eta vs tors. theta energy: -33.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -720.802802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.802802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.802802 (E_RNA)
where:
Base-Base interactions energy: -362.621
where: short stacking energy: -195.289
Base-Backbone interact. energy: -3.617
local terms energy: -354.564762
where:
bonds (distance) C4'-P energy: -111.529
bonds (distance) P-C4' energy: -99.742
flat angles C4'-P-C4' energy: -81.224
flat angles P-C4'-P energy: -67.178
tors. eta vs tors. theta energy: 5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2291.662387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.662387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.662387 (E_RNA)
where:
Base-Base interactions energy: -1576.779
where: short stacking energy: -679.996
Base-Backbone interact. energy: -0.255
local terms energy: -714.628586
where:
bonds (distance) C4'-P energy: -116.637
bonds (distance) P-C4' energy: -141.748
flat angles C4'-P-C4' energy: -155.493
flat angles P-C4'-P energy: -103.528
tors. eta vs tors. theta energy: -197.223
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: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2211.738056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.738056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.738056 (E_RNA)
where:
Base-Base interactions energy: -1502.652
where: short stacking energy: -657.545
Base-Backbone interact. energy: -2.468
local terms energy: -706.617616
where:
bonds (distance) C4'-P energy: -127.837
bonds (distance) P-C4' energy: -127.514
flat angles C4'-P-C4' energy: -148.590
flat angles P-C4'-P energy: -102.093
tors. eta vs tors. theta energy: -200.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2116.675898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.675898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.675898 (E_RNA)
where:
Base-Base interactions energy: -1460.520
where: short stacking energy: -608.532
Base-Backbone interact. energy: -4.386
local terms energy: -651.769589
where:
bonds (distance) C4'-P energy: -132.731
bonds (distance) P-C4' energy: -103.381
flat angles C4'-P-C4' energy: -145.698
flat angles P-C4'-P energy: -95.704
tors. eta vs tors. theta energy: -174.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2000.267320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.267320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.267320 (E_RNA)
where:
Base-Base interactions energy: -1369.941
where: short stacking energy: -608.963
Base-Backbone interact. energy: -3.173
local terms energy: -627.153301
where:
bonds (distance) C4'-P energy: -109.414
bonds (distance) P-C4' energy: -125.580
flat angles C4'-P-C4' energy: -140.775
flat angles P-C4'-P energy: -85.431
tors. eta vs tors. theta energy: -165.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1901.057581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.057581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.057581 (E_RNA)
where:
Base-Base interactions energy: -1259.854
where: short stacking energy: -561.800
Base-Backbone interact. energy: -3.691
local terms energy: -637.512717
where:
bonds (distance) C4'-P energy: -128.729
bonds (distance) P-C4' energy: -118.222
flat angles C4'-P-C4' energy: -139.809
flat angles P-C4'-P energy: -83.328
tors. eta vs tors. theta energy: -167.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1820.868399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.868399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.868399 (E_RNA)
where:
Base-Base interactions energy: -1268.672
where: short stacking energy: -512.152
Base-Backbone interact. energy: -1.365
local terms energy: -550.830674
where:
bonds (distance) C4'-P energy: -96.477
bonds (distance) P-C4' energy: -115.771
flat angles C4'-P-C4' energy: -129.999
flat angles P-C4'-P energy: -62.140
tors. eta vs tors. theta energy: -146.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1477.400850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.400850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.400850 (E_RNA)
where:
Base-Base interactions energy: -949.316
where: short stacking energy: -447.180
Base-Backbone interact. energy: 3.506
local terms energy: -531.590653
where:
bonds (distance) C4'-P energy: -127.039
bonds (distance) P-C4' energy: -97.142
flat angles C4'-P-C4' energy: -123.364
flat angles P-C4'-P energy: -74.380
tors. eta vs tors. theta energy: -109.665
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: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1276.560034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.560034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.560034 (E_RNA)
where:
Base-Base interactions energy: -786.159
where: short stacking energy: -352.070
Base-Backbone interact. energy: 1.261
local terms energy: -491.661180
where:
bonds (distance) C4'-P energy: -96.201
bonds (distance) P-C4' energy: -117.252
flat angles C4'-P-C4' energy: -132.446
flat angles P-C4'-P energy: -63.102
tors. eta vs tors. theta energy: -82.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -893.027683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.027683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.027683 (E_RNA)
where:
Base-Base interactions energy: -499.199
where: short stacking energy: -260.876
Base-Backbone interact. energy: -2.098
local terms energy: -391.730052
where:
bonds (distance) C4'-P energy: -101.207
bonds (distance) P-C4' energy: -97.015
flat angles C4'-P-C4' energy: -113.180
flat angles P-C4'-P energy: -57.188
tors. eta vs tors. theta energy: -23.140
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: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -727.449740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.449740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.449740 (E_RNA)
where:
Base-Base interactions energy: -369.568
where: short stacking energy: -208.882
Base-Backbone interact. energy: 4.336
local terms energy: -362.218202
where:
bonds (distance) C4'-P energy: -92.552
bonds (distance) P-C4' energy: -125.538
flat angles C4'-P-C4' energy: -100.739
flat angles P-C4'-P energy: -48.430
tors. eta vs tors. theta energy: 5.041
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: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2319.445203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.445203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.445203 (E_RNA)
where:
Base-Base interactions energy: -1584.100
where: short stacking energy: -670.512
Base-Backbone interact. energy: -1.809
local terms energy: -733.536701
where:
bonds (distance) C4'-P energy: -129.768
bonds (distance) P-C4' energy: -139.423
flat angles C4'-P-C4' energy: -153.834
flat angles P-C4'-P energy: -104.601
tors. eta vs tors. theta energy: -205.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2222.141303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.141303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.141303 (E_RNA)
where:
Base-Base interactions energy: -1522.443
where: short stacking energy: -668.723
Base-Backbone interact. energy: -1.488
local terms energy: -698.210203
where:
bonds (distance) C4'-P energy: -128.328
bonds (distance) P-C4' energy: -134.902
flat angles C4'-P-C4' energy: -149.257
flat angles P-C4'-P energy: -96.596
tors. eta vs tors. theta energy: -189.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2092.066896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.066896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.066896 (E_RNA)
where:
Base-Base interactions energy: -1451.702
where: short stacking energy: -600.586
Base-Backbone interact. energy: 2.257
local terms energy: -642.621470
where:
bonds (distance) C4'-P energy: -120.287
bonds (distance) P-C4' energy: -120.667
flat angles C4'-P-C4' energy: -135.363
flat angles P-C4'-P energy: -98.381
tors. eta vs tors. theta energy: -167.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1935.563412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.563412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.563412 (E_RNA)
where:
Base-Base interactions energy: -1321.026
where: short stacking energy: -578.794
Base-Backbone interact. energy: -2.776
local terms energy: -611.761082
where:
bonds (distance) C4'-P energy: -112.920
bonds (distance) P-C4' energy: -117.224
flat angles C4'-P-C4' energy: -135.746
flat angles P-C4'-P energy: -87.343
tors. eta vs tors. theta energy: -158.529
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: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1944.612141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.612141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.612141 (E_RNA)
where:
Base-Base interactions energy: -1320.390
where: short stacking energy: -605.756
Base-Backbone interact. energy: -2.898
local terms energy: -621.324257
where:
bonds (distance) C4'-P energy: -115.573
bonds (distance) P-C4' energy: -108.800
flat angles C4'-P-C4' energy: -133.313
flat angles P-C4'-P energy: -91.530
tors. eta vs tors. theta energy: -172.108
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: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1852.370690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.370690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.370690 (E_RNA)
where:
Base-Base interactions energy: -1304.617
where: short stacking energy: -512.217
Base-Backbone interact. energy: 1.513
local terms energy: -549.267225
where:
bonds (distance) C4'-P energy: -109.812
bonds (distance) P-C4' energy: -114.276
flat angles C4'-P-C4' energy: -116.544
flat angles P-C4'-P energy: -68.541
tors. eta vs tors. theta energy: -140.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1512.712164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.712164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.712164 (E_RNA)
where:
Base-Base interactions energy: -1014.577
where: short stacking energy: -446.399
Base-Backbone interact. energy: -0.722
local terms energy: -497.413163
where:
bonds (distance) C4'-P energy: -113.554
bonds (distance) P-C4' energy: -104.977
flat angles C4'-P-C4' energy: -118.644
flat angles P-C4'-P energy: -67.532
tors. eta vs tors. theta energy: -92.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1214.556167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.556167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.556167 (E_RNA)
where:
Base-Base interactions energy: -733.276
where: short stacking energy: -346.188
Base-Backbone interact. energy: -0.473
local terms energy: -480.807819
where:
bonds (distance) C4'-P energy: -125.923
bonds (distance) P-C4' energy: -107.110
flat angles C4'-P-C4' energy: -109.370
flat angles P-C4'-P energy: -56.702
tors. eta vs tors. theta energy: -81.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -924.037665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.037665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.037665 (E_RNA)
where:
Base-Base interactions energy: -563.536
where: short stacking energy: -263.385
Base-Backbone interact. energy: 3.052
local terms energy: -363.553869
where:
bonds (distance) C4'-P energy: -96.527
bonds (distance) P-C4' energy: -77.592
flat angles C4'-P-C4' energy: -90.245
flat angles P-C4'-P energy: -69.638
tors. eta vs tors. theta energy: -29.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -720.750122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.750122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.750122 (E_RNA)
where:
Base-Base interactions energy: -363.215
where: short stacking energy: -182.892
Base-Backbone interact. energy: 1.624
local terms energy: -359.159275
where:
bonds (distance) C4'-P energy: -106.462
bonds (distance) P-C4' energy: -111.932
flat angles C4'-P-C4' energy: -83.030
flat angles P-C4'-P energy: -59.580
tors. eta vs tors. theta energy: 1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2314.051296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.051296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.051296 (E_RNA)
where:
Base-Base interactions energy: -1578.775
where: short stacking energy: -676.585
Base-Backbone interact. energy: -2.808
local terms energy: -732.467920
where:
bonds (distance) C4'-P energy: -117.415
bonds (distance) P-C4' energy: -133.327
flat angles C4'-P-C4' energy: -161.722
flat angles P-C4'-P energy: -107.744
tors. eta vs tors. theta energy: -212.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2226.493754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.493754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.493754 (E_RNA)
where:
Base-Base interactions energy: -1535.101
where: short stacking energy: -682.533
Base-Backbone interact. energy: -2.313
local terms energy: -689.079505
where:
bonds (distance) C4'-P energy: -128.285
bonds (distance) P-C4' energy: -132.081
flat angles C4'-P-C4' energy: -137.522
flat angles P-C4'-P energy: -92.645
tors. eta vs tors. theta energy: -198.546
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: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2100.256957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.256957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.256957 (E_RNA)
where:
Base-Base interactions energy: -1447.567
where: short stacking energy: -604.650
Base-Backbone interact. energy: -5.809
local terms energy: -646.880342
where:
bonds (distance) C4'-P energy: -131.957
bonds (distance) P-C4' energy: -139.509
flat angles C4'-P-C4' energy: -143.730
flat angles P-C4'-P energy: -70.832
tors. eta vs tors. theta energy: -160.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1977.880260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.880260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.880260 (E_RNA)
where:
Base-Base interactions energy: -1337.791
where: short stacking energy: -572.775
Base-Backbone interact. energy: -4.819
local terms energy: -635.270271
where:
bonds (distance) C4'-P energy: -122.817
bonds (distance) P-C4' energy: -115.087
flat angles C4'-P-C4' energy: -148.276
flat angles P-C4'-P energy: -89.652
tors. eta vs tors. theta energy: -159.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1966.080374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.080374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.080374 (E_RNA)
where:
Base-Base interactions energy: -1321.790
where: short stacking energy: -610.274
Base-Backbone interact. energy: 0.379
local terms energy: -644.668652
where:
bonds (distance) C4'-P energy: -117.065
bonds (distance) P-C4' energy: -123.011
flat angles C4'-P-C4' energy: -138.859
flat angles P-C4'-P energy: -86.984
tors. eta vs tors. theta energy: -178.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1812.417798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.417798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.417798 (E_RNA)
where:
Base-Base interactions energy: -1223.547
where: short stacking energy: -502.551
Base-Backbone interact. energy: -1.688
local terms energy: -587.183337
where:
bonds (distance) C4'-P energy: -112.992
bonds (distance) P-C4' energy: -101.564
flat angles C4'-P-C4' energy: -138.876
flat angles P-C4'-P energy: -92.001
tors. eta vs tors. theta energy: -141.750
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: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1497.922689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.922689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.922689 (E_RNA)
where:
Base-Base interactions energy: -974.026
where: short stacking energy: -447.059
Base-Backbone interact. energy: 0.349
local terms energy: -524.246473
where:
bonds (distance) C4'-P energy: -99.315
bonds (distance) P-C4' energy: -109.169
flat angles C4'-P-C4' energy: -126.641
flat angles P-C4'-P energy: -83.736
tors. eta vs tors. theta energy: -105.384
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: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1174.871402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.871402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.871402 (E_RNA)
where:
Base-Base interactions energy: -725.955
where: short stacking energy: -327.198
Base-Backbone interact. energy: 2.619
local terms energy: -451.534882
where:
bonds (distance) C4'-P energy: -113.362
bonds (distance) P-C4' energy: -116.601
flat angles C4'-P-C4' energy: -106.126
flat angles P-C4'-P energy: -76.314
tors. eta vs tors. theta energy: -39.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -879.206215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.206215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.206215 (E_RNA)
where:
Base-Base interactions energy: -472.291
where: short stacking energy: -238.620
Base-Backbone interact. energy: -0.147
local terms energy: -406.768690
where:
bonds (distance) C4'-P energy: -93.743
bonds (distance) P-C4' energy: -107.721
flat angles C4'-P-C4' energy: -116.878
flat angles P-C4'-P energy: -64.090
tors. eta vs tors. theta energy: -24.337
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: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -783.968353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.968353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.968353 (E_RNA)
where:
Base-Base interactions energy: -408.015
where: short stacking energy: -226.471
Base-Backbone interact. energy: 2.284
local terms energy: -378.237697
where:
bonds (distance) C4'-P energy: -108.983
bonds (distance) P-C4' energy: -100.320
flat angles C4'-P-C4' energy: -102.102
flat angles P-C4'-P energy: -54.382
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2342.583558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.583558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.583558 (E_RNA)
where:
Base-Base interactions energy: -1597.718
where: short stacking energy: -682.946
Base-Backbone interact. energy: -0.995
local terms energy: -743.870806
where:
bonds (distance) C4'-P energy: -137.788
bonds (distance) P-C4' energy: -132.999
flat angles C4'-P-C4' energy: -155.189
flat angles P-C4'-P energy: -107.758
tors. eta vs tors. theta energy: -210.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2248.073911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.073911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.073911 (E_RNA)
where:
Base-Base interactions energy: -1546.148
where: short stacking energy: -674.162
Base-Backbone interact. energy: 0.942
local terms energy: -702.868056
where:
bonds (distance) C4'-P energy: -121.037
bonds (distance) P-C4' energy: -128.437
flat angles C4'-P-C4' energy: -145.205
flat angles P-C4'-P energy: -102.785
tors. eta vs tors. theta energy: -205.404
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: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2114.437595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.437595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.437595 (E_RNA)
where:
Base-Base interactions energy: -1463.885
where: short stacking energy: -628.366
Base-Backbone interact. energy: -1.062
local terms energy: -649.491146
where:
bonds (distance) C4'-P energy: -120.200
bonds (distance) P-C4' energy: -122.001
flat angles C4'-P-C4' energy: -151.095
flat angles P-C4'-P energy: -80.119
tors. eta vs tors. theta energy: -176.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2000.229852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.229852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.229852 (E_RNA)
where:
Base-Base interactions energy: -1348.813
where: short stacking energy: -612.610
Base-Backbone interact. energy: -1.187
local terms energy: -650.229923
where:
bonds (distance) C4'-P energy: -125.051
bonds (distance) P-C4' energy: -117.017
flat angles C4'-P-C4' energy: -138.547
flat angles P-C4'-P energy: -94.050
tors. eta vs tors. theta energy: -175.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1871.509072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.509072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.509072 (E_RNA)
where:
Base-Base interactions energy: -1243.105
where: short stacking energy: -560.360
Base-Backbone interact. energy: 2.058
local terms energy: -630.462424
where:
bonds (distance) C4'-P energy: -124.631
bonds (distance) P-C4' energy: -118.330
flat angles C4'-P-C4' energy: -134.617
flat angles P-C4'-P energy: -91.248
tors. eta vs tors. theta energy: -161.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1834.132794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.132794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.132794 (E_RNA)
where:
Base-Base interactions energy: -1255.679
where: short stacking energy: -523.693
Base-Backbone interact. energy: 0.481
local terms energy: -578.934099
where:
bonds (distance) C4'-P energy: -115.462
bonds (distance) P-C4' energy: -110.915
flat angles C4'-P-C4' energy: -130.833
flat angles P-C4'-P energy: -85.727
tors. eta vs tors. theta energy: -135.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1432.566342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.566342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.566342 (E_RNA)
where:
Base-Base interactions energy: -892.491
where: short stacking energy: -413.030
Base-Backbone interact. energy: 2.690
local terms energy: -542.765882
where:
bonds (distance) C4'-P energy: -97.163
bonds (distance) P-C4' energy: -116.632
flat angles C4'-P-C4' energy: -137.353
flat angles P-C4'-P energy: -79.948
tors. eta vs tors. theta energy: -111.670
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: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1206.637443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.637443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.637443 (E_RNA)
where:
Base-Base interactions energy: -733.922
where: short stacking energy: -337.361
Base-Backbone interact. energy: -1.544
local terms energy: -471.172028
where:
bonds (distance) C4'-P energy: -98.817
bonds (distance) P-C4' energy: -117.981
flat angles C4'-P-C4' energy: -124.911
flat angles P-C4'-P energy: -61.435
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -934.937960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.937960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.937960 (E_RNA)
where:
Base-Base interactions energy: -527.125
where: short stacking energy: -283.240
Base-Backbone interact. energy: 6.078
local terms energy: -413.890691
where:
bonds (distance) C4'-P energy: -110.044
bonds (distance) P-C4' energy: -115.871
flat angles C4'-P-C4' energy: -94.997
flat angles P-C4'-P energy: -49.480
tors. eta vs tors. theta energy: -43.499
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: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -716.065596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.065596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.065596 (E_RNA)
where:
Base-Base interactions energy: -345.432
where: short stacking energy: -196.410
Base-Backbone interact. energy: 0.324
local terms energy: -370.957345
where:
bonds (distance) C4'-P energy: -107.265
bonds (distance) P-C4' energy: -110.483
flat angles C4'-P-C4' energy: -92.440
flat angles P-C4'-P energy: -67.822
tors. eta vs tors. theta energy: 7.054
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: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2362.480285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.480285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.480285 (E_RNA)
where:
Base-Base interactions energy: -1620.771
where: short stacking energy: -693.200
Base-Backbone interact. energy: 0.364
local terms energy: -742.072929
where:
bonds (distance) C4'-P energy: -132.538
bonds (distance) P-C4' energy: -139.320
flat angles C4'-P-C4' energy: -152.653
flat angles P-C4'-P energy: -107.547
tors. eta vs tors. theta energy: -210.015
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: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2215.616467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.616467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.616467 (E_RNA)
where:
Base-Base interactions energy: -1522.569
where: short stacking energy: -677.607
Base-Backbone interact. energy: -3.532
local terms energy: -689.515109
where:
bonds (distance) C4'-P energy: -113.629
bonds (distance) P-C4' energy: -116.763
flat angles C4'-P-C4' energy: -158.207
flat angles P-C4'-P energy: -96.581
tors. eta vs tors. theta energy: -204.335
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: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2093.725178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.725178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.725178 (E_RNA)
where:
Base-Base interactions energy: -1486.045
where: short stacking energy: -607.169
Base-Backbone interact. energy: -2.135
local terms energy: -605.545066
where:
bonds (distance) C4'-P energy: -105.147
bonds (distance) P-C4' energy: -114.895
flat angles C4'-P-C4' energy: -139.089
flat angles P-C4'-P energy: -83.058
tors. eta vs tors. theta energy: -163.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1997.291675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.291675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.291675 (E_RNA)
where:
Base-Base interactions energy: -1369.543
where: short stacking energy: -594.161
Base-Backbone interact. energy: -2.662
local terms energy: -625.086942
where:
bonds (distance) C4'-P energy: -135.137
bonds (distance) P-C4' energy: -109.203
flat angles C4'-P-C4' energy: -130.074
flat angles P-C4'-P energy: -87.675
tors. eta vs tors. theta energy: -162.998
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: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1907.351637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.351637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.351637 (E_RNA)
where:
Base-Base interactions energy: -1260.259
where: short stacking energy: -539.708
Base-Backbone interact. energy: -1.174
local terms energy: -645.918515
where:
bonds (distance) C4'-P energy: -132.448
bonds (distance) P-C4' energy: -130.358
flat angles C4'-P-C4' energy: -139.003
flat angles P-C4'-P energy: -86.125
tors. eta vs tors. theta energy: -157.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1799.968719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.968719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.968719 (E_RNA)
where:
Base-Base interactions energy: -1220.687
where: short stacking energy: -501.030
Base-Backbone interact. energy: -3.823
local terms energy: -575.458509
where:
bonds (distance) C4'-P energy: -115.994
bonds (distance) P-C4' energy: -127.940
flat angles C4'-P-C4' energy: -132.724
flat angles P-C4'-P energy: -75.838
tors. eta vs tors. theta energy: -122.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1408.290808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.290808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.290808 (E_RNA)
where:
Base-Base interactions energy: -915.545
where: short stacking energy: -403.135
Base-Backbone interact. energy: 3.126
local terms energy: -495.871537
where:
bonds (distance) C4'-P energy: -92.520
bonds (distance) P-C4' energy: -116.917
flat angles C4'-P-C4' energy: -126.351
flat angles P-C4'-P energy: -62.862
tors. eta vs tors. theta energy: -97.221
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: 272
Temperature: 1.250000
Total energy: -1305.292617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.292617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.292617 (E_RNA)
where:
Base-Base interactions energy: -836.292
where: short stacking energy: -381.307
Base-Backbone interact. energy: -0.516
local terms energy: -468.484641
where:
bonds (distance) C4'-P energy: -111.780
bonds (distance) P-C4' energy: -116.366
flat angles C4'-P-C4' energy: -105.473
flat angles P-C4'-P energy: -70.419
tors. eta vs tors. theta energy: -64.447
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: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -916.796349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.796349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.796349 (E_RNA)
where:
Base-Base interactions energy: -537.347
where: short stacking energy: -267.934
Base-Backbone interact. energy: 2.509
local terms energy: -381.957771
where:
bonds (distance) C4'-P energy: -101.039
bonds (distance) P-C4' energy: -102.193
flat angles C4'-P-C4' energy: -91.105
flat angles P-C4'-P energy: -59.618
tors. eta vs tors. theta energy: -28.002
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: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -731.058034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.058034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.058034 (E_RNA)
where:
Base-Base interactions energy: -367.138
where: short stacking energy: -218.696
Base-Backbone interact. energy: 1.714
local terms energy: -365.633771
where:
bonds (distance) C4'-P energy: -94.194
bonds (distance) P-C4' energy: -99.892
flat angles C4'-P-C4' energy: -85.156
flat angles P-C4'-P energy: -67.885
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2347.870201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.870201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.870201 (E_RNA)
where:
Base-Base interactions energy: -1609.424
where: short stacking energy: -676.106
Base-Backbone interact. energy: -1.014
local terms energy: -737.432664
where:
bonds (distance) C4'-P energy: -134.271
bonds (distance) P-C4' energy: -130.018
flat angles C4'-P-C4' energy: -157.965
flat angles P-C4'-P energy: -115.449
tors. eta vs tors. theta energy: -199.729
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: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2248.265921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.265921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.265921 (E_RNA)
where:
Base-Base interactions energy: -1511.889
where: short stacking energy: -670.389
Base-Backbone interact. energy: -1.607
local terms energy: -734.769830
where:
bonds (distance) C4'-P energy: -128.869
bonds (distance) P-C4' energy: -135.824
flat angles C4'-P-C4' energy: -157.609
flat angles P-C4'-P energy: -102.110
tors. eta vs tors. theta energy: -210.358
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: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2078.281919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.281919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.281919 (E_RNA)
where:
Base-Base interactions energy: -1408.220
where: short stacking energy: -609.367
Base-Backbone interact. energy: -2.232
local terms energy: -667.830073
where:
bonds (distance) C4'-P energy: -110.995
bonds (distance) P-C4' energy: -124.906
flat angles C4'-P-C4' energy: -156.196
flat angles P-C4'-P energy: -103.343
tors. eta vs tors. theta energy: -172.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1950.886317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.886317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.886317 (E_RNA)
where:
Base-Base interactions energy: -1320.035
where: short stacking energy: -596.444
Base-Backbone interact. energy: 3.186
local terms energy: -634.037033
where:
bonds (distance) C4'-P energy: -122.164
bonds (distance) P-C4' energy: -112.954
flat angles C4'-P-C4' energy: -134.439
flat angles P-C4'-P energy: -91.475
tors. eta vs tors. theta energy: -173.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1864.234975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.234975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.234975 (E_RNA)
where:
Base-Base interactions energy: -1261.874
where: short stacking energy: -588.881
Base-Backbone interact. energy: -2.402
local terms energy: -599.958598
where:
bonds (distance) C4'-P energy: -122.978
bonds (distance) P-C4' energy: -95.246
flat angles C4'-P-C4' energy: -122.316
flat angles P-C4'-P energy: -90.134
tors. eta vs tors. theta energy: -169.284
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1825.447374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.447374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.447374 (E_RNA)
where:
Base-Base interactions energy: -1242.781
where: short stacking energy: -526.308
Base-Backbone interact. energy: -0.029
local terms energy: -582.636763
where:
bonds (distance) C4'-P energy: -116.676
bonds (distance) P-C4' energy: -114.743
flat angles C4'-P-C4' energy: -128.033
flat angles P-C4'-P energy: -91.844
tors. eta vs tors. theta energy: -131.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1430.154806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.154806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.154806 (E_RNA)
where:
Base-Base interactions energy: -905.985
where: short stacking energy: -433.011
Base-Backbone interact. energy: 1.845
local terms energy: -526.014305
where:
bonds (distance) C4'-P energy: -101.647
bonds (distance) P-C4' energy: -118.903
flat angles C4'-P-C4' energy: -119.883
flat angles P-C4'-P energy: -82.827
tors. eta vs tors. theta energy: -102.755
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: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1265.603434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.603434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.603434 (E_RNA)
where:
Base-Base interactions energy: -783.493
where: short stacking energy: -341.637
Base-Backbone interact. energy: 3.022
local terms energy: -485.133064
where:
bonds (distance) C4'-P energy: -110.715
bonds (distance) P-C4' energy: -118.376
flat angles C4'-P-C4' energy: -115.935
flat angles P-C4'-P energy: -87.621
tors. eta vs tors. theta energy: -52.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -891.420020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.420020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.420020 (E_RNA)
where:
Base-Base interactions energy: -493.718
where: short stacking energy: -254.925
Base-Backbone interact. energy: 0.400
local terms energy: -398.102421
where:
bonds (distance) C4'-P energy: -99.172
bonds (distance) P-C4' energy: -102.257
flat angles C4'-P-C4' energy: -83.727
flat angles P-C4'-P energy: -78.486
tors. eta vs tors. theta energy: -34.461
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: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -745.893201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.893201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.893201 (E_RNA)
where:
Base-Base interactions energy: -379.115
where: short stacking energy: -227.201
Base-Backbone interact. energy: -2.696
local terms energy: -364.081612
where:
bonds (distance) C4'-P energy: -89.469
bonds (distance) P-C4' energy: -98.416
flat angles C4'-P-C4' energy: -101.310
flat angles P-C4'-P energy: -65.924
tors. eta vs tors. theta energy: -8.962
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: 274
Temperature: 0.900000
Total energy: -2339.389831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.389831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.389831 (E_RNA)
where:
Base-Base interactions energy: -1590.087
where: short stacking energy: -664.620
Base-Backbone interact. energy: -1.490
local terms energy: -747.812422
where:
bonds (distance) C4'-P energy: -148.581
bonds (distance) P-C4' energy: -136.522
flat angles C4'-P-C4' energy: -155.152
flat angles P-C4'-P energy: -110.305
tors. eta vs tors. theta energy: -197.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2212.402040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.402040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.402040 (E_RNA)
where:
Base-Base interactions energy: -1505.706
where: short stacking energy: -668.231
Base-Backbone interact. energy: -2.159
local terms energy: -704.536724
where:
bonds (distance) C4'-P energy: -117.383
bonds (distance) P-C4' energy: -124.151
flat angles C4'-P-C4' energy: -150.353
flat angles P-C4'-P energy: -106.687
tors. eta vs tors. theta energy: -205.964
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: 274
Temperature: 1.000000
Total energy: -2084.181739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.181739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.181739 (E_RNA)
where:
Base-Base interactions energy: -1418.945
where: short stacking energy: -610.375
Base-Backbone interact. energy: -0.575
local terms energy: -664.661768
where:
bonds (distance) C4'-P energy: -121.496
bonds (distance) P-C4' energy: -132.155
flat angles C4'-P-C4' energy: -141.307
flat angles P-C4'-P energy: -102.640
tors. eta vs tors. theta energy: -167.064
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: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1967.225187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.225187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.225187 (E_RNA)
where:
Base-Base interactions energy: -1313.926
where: short stacking energy: -567.112
Base-Backbone interact. energy: -3.336
local terms energy: -649.962849
where:
bonds (distance) C4'-P energy: -131.427
bonds (distance) P-C4' energy: -119.446
flat angles C4'-P-C4' energy: -130.041
flat angles P-C4'-P energy: -100.402
tors. eta vs tors. theta energy: -168.646
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: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1862.131755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.131755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.131755 (E_RNA)
where:
Base-Base interactions energy: -1278.755
where: short stacking energy: -522.722
Base-Backbone interact. energy: 1.995
local terms energy: -585.372373
where:
bonds (distance) C4'-P energy: -115.775
bonds (distance) P-C4' energy: -121.124
flat angles C4'-P-C4' energy: -130.621
flat angles P-C4'-P energy: -75.442
tors. eta vs tors. theta energy: -142.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1790.136945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.136945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.136945 (E_RNA)
where:
Base-Base interactions energy: -1199.414
where: short stacking energy: -536.164
Base-Backbone interact. energy: 1.446
local terms energy: -592.169722
where:
bonds (distance) C4'-P energy: -106.684
bonds (distance) P-C4' energy: -102.921
flat angles C4'-P-C4' energy: -132.409
flat angles P-C4'-P energy: -89.960
tors. eta vs tors. theta energy: -160.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1506.269666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.269666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.269666 (E_RNA)
where:
Base-Base interactions energy: -963.368
where: short stacking energy: -449.860
Base-Backbone interact. energy: 0.370
local terms energy: -543.271676
where:
bonds (distance) C4'-P energy: -116.614
bonds (distance) P-C4' energy: -115.391
flat angles C4'-P-C4' energy: -126.502
flat angles P-C4'-P energy: -80.434
tors. eta vs tors. theta energy: -104.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1208.421119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.421119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.421119 (E_RNA)
where:
Base-Base interactions energy: -749.021
where: short stacking energy: -363.112
Base-Backbone interact. energy: 4.042
local terms energy: -463.442186
where:
bonds (distance) C4'-P energy: -111.207
bonds (distance) P-C4' energy: -98.853
flat angles C4'-P-C4' energy: -118.777
flat angles P-C4'-P energy: -70.652
tors. eta vs tors. theta energy: -63.953
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: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -894.190902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.190902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.190902 (E_RNA)
where:
Base-Base interactions energy: -518.418
where: short stacking energy: -269.745
Base-Backbone interact. energy: 8.552
local terms energy: -384.324768
where:
bonds (distance) C4'-P energy: -82.818
bonds (distance) P-C4' energy: -112.667
flat angles C4'-P-C4' energy: -109.942
flat angles P-C4'-P energy: -51.570
tors. eta vs tors. theta energy: -27.328
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: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -754.441826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.441826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.441826 (E_RNA)
where:
Base-Base interactions energy: -363.316
where: short stacking energy: -220.561
Base-Backbone interact. energy: 0.827
local terms energy: -391.953292
where:
bonds (distance) C4'-P energy: -121.421
bonds (distance) P-C4' energy: -113.542
flat angles C4'-P-C4' energy: -88.226
flat angles P-C4'-P energy: -44.866
tors. eta vs tors. theta energy: -23.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2302.651149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.651149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.651149 (E_RNA)
where:
Base-Base interactions energy: -1576.293
where: short stacking energy: -655.555
Base-Backbone interact. energy: -4.588
local terms energy: -721.769707
where:
bonds (distance) C4'-P energy: -133.580
bonds (distance) P-C4' energy: -123.888
flat angles C4'-P-C4' energy: -156.476
flat angles P-C4'-P energy: -105.416
tors. eta vs tors. theta energy: -202.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2227.842101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.842101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.842101 (E_RNA)
where:
Base-Base interactions energy: -1520.050
where: short stacking energy: -669.780
Base-Backbone interact. energy: -1.489
local terms energy: -706.303554
where:
bonds (distance) C4'-P energy: -138.848
bonds (distance) P-C4' energy: -128.214
flat angles C4'-P-C4' energy: -147.203
flat angles P-C4'-P energy: -93.592
tors. eta vs tors. theta energy: -198.446
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: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2108.897006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.897006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.897006 (E_RNA)
where:
Base-Base interactions energy: -1462.530
where: short stacking energy: -613.269
Base-Backbone interact. energy: -2.000
local terms energy: -644.367389
where:
bonds (distance) C4'-P energy: -123.245
bonds (distance) P-C4' energy: -122.123
flat angles C4'-P-C4' energy: -139.747
flat angles P-C4'-P energy: -92.659
tors. eta vs tors. theta energy: -166.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1937.019000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.019000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.019000 (E_RNA)
where:
Base-Base interactions energy: -1310.740
where: short stacking energy: -559.924
Base-Backbone interact. energy: -2.329
local terms energy: -623.949223
where:
bonds (distance) C4'-P energy: -116.497
bonds (distance) P-C4' energy: -114.953
flat angles C4'-P-C4' energy: -147.043
flat angles P-C4'-P energy: -91.890
tors. eta vs tors. theta energy: -153.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1810.628558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.628558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.628558 (E_RNA)
where:
Base-Base interactions energy: -1206.781
where: short stacking energy: -475.792
Base-Backbone interact. energy: -4.480
local terms energy: -599.367619
where:
bonds (distance) C4'-P energy: -131.799
bonds (distance) P-C4' energy: -133.296
flat angles C4'-P-C4' energy: -131.624
flat angles P-C4'-P energy: -73.431
tors. eta vs tors. theta energy: -129.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1800.422073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.422073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.422073 (E_RNA)
where:
Base-Base interactions energy: -1165.131
where: short stacking energy: -554.431
Base-Backbone interact. energy: 2.957
local terms energy: -638.248018
where:
bonds (distance) C4'-P energy: -113.712
bonds (distance) P-C4' energy: -120.541
flat angles C4'-P-C4' energy: -142.892
flat angles P-C4'-P energy: -94.957
tors. eta vs tors. theta energy: -166.146
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: 275
Temperature: 1.200000
Total energy: -1489.989613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.989613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.989613 (E_RNA)
where:
Base-Base interactions energy: -957.267
where: short stacking energy: -445.399
Base-Backbone interact. energy: -1.698
local terms energy: -531.023852
where:
bonds (distance) C4'-P energy: -123.930
bonds (distance) P-C4' energy: -117.967
flat angles C4'-P-C4' energy: -112.504
flat angles P-C4'-P energy: -69.182
tors. eta vs tors. theta energy: -107.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1243.062937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.062937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.062937 (E_RNA)
where:
Base-Base interactions energy: -760.480
where: short stacking energy: -334.913
Base-Backbone interact. energy: 1.945
local terms energy: -484.527391
where:
bonds (distance) C4'-P energy: -114.335
bonds (distance) P-C4' energy: -110.555
flat angles C4'-P-C4' energy: -131.225
flat angles P-C4'-P energy: -54.521
tors. eta vs tors. theta energy: -73.892
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: 275
Temperature: 1.300000
Total energy: -911.098152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.098152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.098152 (E_RNA)
where:
Base-Base interactions energy: -544.016
where: short stacking energy: -283.066
Base-Backbone interact. energy: 0.091
local terms energy: -367.173200
where:
bonds (distance) C4'-P energy: -109.864
bonds (distance) P-C4' energy: -95.103
flat angles C4'-P-C4' energy: -102.695
flat angles P-C4'-P energy: -44.930
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -732.833787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.833787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.833787 (E_RNA)
where:
Base-Base interactions energy: -372.865
where: short stacking energy: -237.579
Base-Backbone interact. energy: -3.429
local terms energy: -356.539835
where:
bonds (distance) C4'-P energy: -84.803
bonds (distance) P-C4' energy: -103.608
flat angles C4'-P-C4' energy: -107.049
flat angles P-C4'-P energy: -42.041
tors. eta vs tors. theta energy: -19.039
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: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2311.564686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.564686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.564686 (E_RNA)
where:
Base-Base interactions energy: -1572.089
where: short stacking energy: -690.633
Base-Backbone interact. energy: -2.556
local terms energy: -736.919498
where:
bonds (distance) C4'-P energy: -132.789
bonds (distance) P-C4' energy: -127.664
flat angles C4'-P-C4' energy: -160.533
flat angles P-C4'-P energy: -103.467
tors. eta vs tors. theta energy: -212.467
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: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2229.003951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.003951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.003951 (E_RNA)
where:
Base-Base interactions energy: -1517.443
where: short stacking energy: -661.055
Base-Backbone interact. energy: -0.383
local terms energy: -711.178101
where:
bonds (distance) C4'-P energy: -109.646
bonds (distance) P-C4' energy: -135.904
flat angles C4'-P-C4' energy: -160.658
flat angles P-C4'-P energy: -103.378
tors. eta vs tors. theta energy: -201.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2046.669140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.669140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.669140 (E_RNA)
where:
Base-Base interactions energy: -1436.069
where: short stacking energy: -586.518
Base-Backbone interact. energy: -3.244
local terms energy: -607.356234
where:
bonds (distance) C4'-P energy: -111.036
bonds (distance) P-C4' energy: -110.162
flat angles C4'-P-C4' energy: -143.791
flat angles P-C4'-P energy: -88.490
tors. eta vs tors. theta energy: -153.878
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: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1947.161835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.161835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.161835 (E_RNA)
where:
Base-Base interactions energy: -1305.983
where: short stacking energy: -589.825
Base-Backbone interact. energy: 3.247
local terms energy: -644.425512
where:
bonds (distance) C4'-P energy: -120.141
bonds (distance) P-C4' energy: -127.897
flat angles C4'-P-C4' energy: -144.889
flat angles P-C4'-P energy: -83.007
tors. eta vs tors. theta energy: -168.492
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: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1844.830594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.830594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.830594 (E_RNA)
where:
Base-Base interactions energy: -1244.915
where: short stacking energy: -561.198
Base-Backbone interact. energy: -2.942
local terms energy: -596.974170
where:
bonds (distance) C4'-P energy: -113.798
bonds (distance) P-C4' energy: -114.434
flat angles C4'-P-C4' energy: -127.849
flat angles P-C4'-P energy: -89.871
tors. eta vs tors. theta energy: -151.021
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: 276
Temperature: 1.150000
Total energy: -1772.578726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.578726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.578726 (E_RNA)
where:
Base-Base interactions energy: -1190.337
where: short stacking energy: -507.243
Base-Backbone interact. energy: -2.403
local terms energy: -579.838705
where:
bonds (distance) C4'-P energy: -109.788
bonds (distance) P-C4' energy: -119.433
flat angles C4'-P-C4' energy: -126.685
flat angles P-C4'-P energy: -85.570
tors. eta vs tors. theta energy: -138.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1536.269262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.269262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.269262 (E_RNA)
where:
Base-Base interactions energy: -1001.998
where: short stacking energy: -467.498
Base-Backbone interact. energy: 0.937
local terms energy: -535.209087
where:
bonds (distance) C4'-P energy: -126.914
bonds (distance) P-C4' energy: -105.503
flat angles C4'-P-C4' energy: -124.549
flat angles P-C4'-P energy: -67.082
tors. eta vs tors. theta energy: -111.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1201.578494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.578494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.578494 (E_RNA)
where:
Base-Base interactions energy: -754.069
where: short stacking energy: -348.780
Base-Backbone interact. energy: 1.576
local terms energy: -449.085799
where:
bonds (distance) C4'-P energy: -98.052
bonds (distance) P-C4' energy: -130.839
flat angles C4'-P-C4' energy: -109.961
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -66.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -949.920078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.920078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.920078 (E_RNA)
where:
Base-Base interactions energy: -520.523
where: short stacking energy: -282.567
Base-Backbone interact. energy: -0.180
local terms energy: -429.217171
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -110.832
flat angles C4'-P-C4' energy: -115.056
flat angles P-C4'-P energy: -70.708
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -730.538348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.538348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.538348 (E_RNA)
where:
Base-Base interactions energy: -342.069
where: short stacking energy: -210.127
Base-Backbone interact. energy: 1.669
local terms energy: -390.139192
where:
bonds (distance) C4'-P energy: -111.207
bonds (distance) P-C4' energy: -110.805
flat angles C4'-P-C4' energy: -87.081
flat angles P-C4'-P energy: -72.626
tors. eta vs tors. theta energy: -8.420
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: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2302.869566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.869566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.869566 (E_RNA)
where:
Base-Base interactions energy: -1579.350
where: short stacking energy: -650.699
Base-Backbone interact. energy: -3.722
local terms energy: -719.797457
where:
bonds (distance) C4'-P energy: -132.444
bonds (distance) P-C4' energy: -135.855
flat angles C4'-P-C4' energy: -153.519
flat angles P-C4'-P energy: -96.855
tors. eta vs tors. theta energy: -201.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2176.537881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.537881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.537881 (E_RNA)
where:
Base-Base interactions energy: -1469.039
where: short stacking energy: -652.779
Base-Backbone interact. energy: -2.039
local terms energy: -705.459977
where:
bonds (distance) C4'-P energy: -118.713
bonds (distance) P-C4' energy: -140.229
flat angles C4'-P-C4' energy: -141.601
flat angles P-C4'-P energy: -101.023
tors. eta vs tors. theta energy: -203.893
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: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2095.950385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.950385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.950385 (E_RNA)
where:
Base-Base interactions energy: -1459.511
where: short stacking energy: -591.427
Base-Backbone interact. energy: -0.406
local terms energy: -636.033535
where:
bonds (distance) C4'-P energy: -126.737
bonds (distance) P-C4' energy: -140.413
flat angles C4'-P-C4' energy: -136.196
flat angles P-C4'-P energy: -74.148
tors. eta vs tors. theta energy: -158.539
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: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1978.971064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.971064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.971064 (E_RNA)
where:
Base-Base interactions energy: -1322.883
where: short stacking energy: -616.533
Base-Backbone interact. energy: -3.108
local terms energy: -652.979791
where:
bonds (distance) C4'-P energy: -107.385
bonds (distance) P-C4' energy: -128.983
flat angles C4'-P-C4' energy: -138.914
flat angles P-C4'-P energy: -93.873
tors. eta vs tors. theta energy: -183.824
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: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1885.589978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.589978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.589978 (E_RNA)
where:
Base-Base interactions energy: -1259.970
where: short stacking energy: -569.234
Base-Backbone interact. energy: 0.681
local terms energy: -626.301148
where:
bonds (distance) C4'-P energy: -114.286
bonds (distance) P-C4' energy: -122.497
flat angles C4'-P-C4' energy: -140.149
flat angles P-C4'-P energy: -97.080
tors. eta vs tors. theta energy: -152.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1738.748211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.748211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.748211 (E_RNA)
where:
Base-Base interactions energy: -1174.021
where: short stacking energy: -484.709
Base-Backbone interact. energy: -4.049
local terms energy: -560.678144
where:
bonds (distance) C4'-P energy: -95.001
bonds (distance) P-C4' energy: -118.520
flat angles C4'-P-C4' energy: -136.269
flat angles P-C4'-P energy: -76.028
tors. eta vs tors. theta energy: -134.861
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: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1445.843970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.843970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.843970 (E_RNA)
where:
Base-Base interactions energy: -886.534
where: short stacking energy: -425.491
Base-Backbone interact. energy: -4.292
local terms energy: -555.017285
where:
bonds (distance) C4'-P energy: -109.572
bonds (distance) P-C4' energy: -123.266
flat angles C4'-P-C4' energy: -143.660
flat angles P-C4'-P energy: -74.595
tors. eta vs tors. theta energy: -103.925
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: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1164.119948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.119948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.119948 (E_RNA)
where:
Base-Base interactions energy: -719.764
where: short stacking energy: -342.844
Base-Backbone interact. energy: -1.333
local terms energy: -443.022933
where:
bonds (distance) C4'-P energy: -104.527
bonds (distance) P-C4' energy: -117.757
flat angles C4'-P-C4' energy: -101.293
flat angles P-C4'-P energy: -68.869
tors. eta vs tors. theta energy: -50.578
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: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -938.514596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.514596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.514596 (E_RNA)
where:
Base-Base interactions energy: -534.926
where: short stacking energy: -300.123
Base-Backbone interact. energy: 1.735
local terms energy: -405.323172
where:
bonds (distance) C4'-P energy: -92.413
bonds (distance) P-C4' energy: -103.720
flat angles C4'-P-C4' energy: -114.522
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -45.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -684.036868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.036868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.036868 (E_RNA)
where:
Base-Base interactions energy: -350.679
where: short stacking energy: -189.512
Base-Backbone interact. energy: -1.468
local terms energy: -331.889282
where:
bonds (distance) C4'-P energy: -88.365
bonds (distance) P-C4' energy: -93.265
flat angles C4'-P-C4' energy: -89.865
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: 0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2314.736067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.736067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.736067 (E_RNA)
where:
Base-Base interactions energy: -1603.950
where: short stacking energy: -694.713
Base-Backbone interact. energy: -3.129
local terms energy: -707.656989
where:
bonds (distance) C4'-P energy: -124.150
bonds (distance) P-C4' energy: -101.155
flat angles C4'-P-C4' energy: -155.911
flat angles P-C4'-P energy: -113.235
tors. eta vs tors. theta energy: -213.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2227.050087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.050087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.050087 (E_RNA)
where:
Base-Base interactions energy: -1506.936
where: short stacking energy: -669.786
Base-Backbone interact. energy: -0.594
local terms energy: -719.519775
where:
bonds (distance) C4'-P energy: -134.935
bonds (distance) P-C4' energy: -130.983
flat angles C4'-P-C4' energy: -156.182
flat angles P-C4'-P energy: -99.436
tors. eta vs tors. theta energy: -197.983
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: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2098.322535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.322535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.322535 (E_RNA)
where:
Base-Base interactions energy: -1445.345
where: short stacking energy: -594.361
Base-Backbone interact. energy: -3.612
local terms energy: -649.366000
where:
bonds (distance) C4'-P energy: -128.224
bonds (distance) P-C4' energy: -141.697
flat angles C4'-P-C4' energy: -136.132
flat angles P-C4'-P energy: -79.253
tors. eta vs tors. theta energy: -164.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1977.110662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.110662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.110662 (E_RNA)
where:
Base-Base interactions energy: -1311.818
where: short stacking energy: -600.161
Base-Backbone interact. energy: -2.012
local terms energy: -663.280783
where:
bonds (distance) C4'-P energy: -112.710
bonds (distance) P-C4' energy: -131.814
flat angles C4'-P-C4' energy: -141.641
flat angles P-C4'-P energy: -96.736
tors. eta vs tors. theta energy: -180.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1855.746775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.746775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.746775 (E_RNA)
where:
Base-Base interactions energy: -1282.553
where: short stacking energy: -551.050
Base-Backbone interact. energy: 7.064
local terms energy: -580.257759
where:
bonds (distance) C4'-P energy: -111.338
bonds (distance) P-C4' energy: -117.253
flat angles C4'-P-C4' energy: -118.509
flat angles P-C4'-P energy: -84.926
tors. eta vs tors. theta energy: -148.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1783.896984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.896984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.896984 (E_RNA)
where:
Base-Base interactions energy: -1178.716
where: short stacking energy: -550.168
Base-Backbone interact. energy: 0.588
local terms energy: -605.768334
where:
bonds (distance) C4'-P energy: -105.726
bonds (distance) P-C4' energy: -121.312
flat angles C4'-P-C4' energy: -132.930
flat angles P-C4'-P energy: -90.564
tors. eta vs tors. theta energy: -155.237
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: 278
Temperature: 1.200000
Total energy: -1455.248268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.248268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.248268 (E_RNA)
where:
Base-Base interactions energy: -953.921
where: short stacking energy: -421.576
Base-Backbone interact. energy: 0.948
local terms energy: -502.274480
where:
bonds (distance) C4'-P energy: -111.410
bonds (distance) P-C4' energy: -121.781
flat angles C4'-P-C4' energy: -110.808
flat angles P-C4'-P energy: -62.410
tors. eta vs tors. theta energy: -95.866
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: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1148.303879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.303879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.303879 (E_RNA)
where:
Base-Base interactions energy: -699.881
where: short stacking energy: -342.451
Base-Backbone interact. energy: -1.374
local terms energy: -447.049532
where:
bonds (distance) C4'-P energy: -109.060
bonds (distance) P-C4' energy: -104.164
flat angles C4'-P-C4' energy: -107.678
flat angles P-C4'-P energy: -47.915
tors. eta vs tors. theta energy: -78.233
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: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -917.899781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.899781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.899781 (E_RNA)
where:
Base-Base interactions energy: -534.432
where: short stacking energy: -267.297
Base-Backbone interact. energy: 1.329
local terms energy: -384.797117
where:
bonds (distance) C4'-P energy: -107.723
bonds (distance) P-C4' energy: -104.311
flat angles C4'-P-C4' energy: -96.662
flat angles P-C4'-P energy: -67.473
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -665.178346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.178346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.178346 (E_RNA)
where:
Base-Base interactions energy: -328.097
where: short stacking energy: -212.814
Base-Backbone interact. energy: 0.882
local terms energy: -337.963159
where:
bonds (distance) C4'-P energy: -100.972
bonds (distance) P-C4' energy: -101.606
flat angles C4'-P-C4' energy: -107.003
flat angles P-C4'-P energy: -43.962
tors. eta vs tors. theta energy: 15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2320.988677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.988677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.988677 (E_RNA)
where:
Base-Base interactions energy: -1583.462
where: short stacking energy: -673.396
Base-Backbone interact. energy: -0.376
local terms energy: -737.150583
where:
bonds (distance) C4'-P energy: -125.610
bonds (distance) P-C4' energy: -145.524
flat angles C4'-P-C4' energy: -141.825
flat angles P-C4'-P energy: -113.882
tors. eta vs tors. theta energy: -210.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2234.128890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.128890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.128890 (E_RNA)
where:
Base-Base interactions energy: -1511.833
where: short stacking energy: -663.578
Base-Backbone interact. energy: -2.466
local terms energy: -719.829828
where:
bonds (distance) C4'-P energy: -135.612
bonds (distance) P-C4' energy: -136.872
flat angles C4'-P-C4' energy: -145.342
flat angles P-C4'-P energy: -96.170
tors. eta vs tors. theta energy: -205.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2079.753441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.753441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.753441 (E_RNA)
where:
Base-Base interactions energy: -1402.494
where: short stacking energy: -601.427
Base-Backbone interact. energy: -2.599
local terms energy: -674.660192
where:
bonds (distance) C4'-P energy: -135.820
bonds (distance) P-C4' energy: -127.424
flat angles C4'-P-C4' energy: -142.307
flat angles P-C4'-P energy: -91.954
tors. eta vs tors. theta energy: -177.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2025.071900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.071900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.071900 (E_RNA)
where:
Base-Base interactions energy: -1376.388
where: short stacking energy: -595.192
Base-Backbone interact. energy: -2.035
local terms energy: -646.649445
where:
bonds (distance) C4'-P energy: -126.965
bonds (distance) P-C4' energy: -123.055
flat angles C4'-P-C4' energy: -135.620
flat angles P-C4'-P energy: -91.612
tors. eta vs tors. theta energy: -169.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1878.870523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.870523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.870523 (E_RNA)
where:
Base-Base interactions energy: -1293.218
where: short stacking energy: -525.124
Base-Backbone interact. energy: 0.066
local terms energy: -585.718454
where:
bonds (distance) C4'-P energy: -108.065
bonds (distance) P-C4' energy: -121.295
flat angles C4'-P-C4' energy: -119.510
flat angles P-C4'-P energy: -91.802
tors. eta vs tors. theta energy: -145.045
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: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1764.572304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.572304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.572304 (E_RNA)
where:
Base-Base interactions energy: -1170.701
where: short stacking energy: -524.209
Base-Backbone interact. energy: -0.228
local terms energy: -593.643575
where:
bonds (distance) C4'-P energy: -125.214
bonds (distance) P-C4' energy: -124.392
flat angles C4'-P-C4' energy: -126.460
flat angles P-C4'-P energy: -73.992
tors. eta vs tors. theta energy: -143.586
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: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1462.438946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.438946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.438946 (E_RNA)
where:
Base-Base interactions energy: -953.492
where: short stacking energy: -432.956
Base-Backbone interact. energy: -0.113
local terms energy: -508.833476
where:
bonds (distance) C4'-P energy: -110.423
bonds (distance) P-C4' energy: -105.894
flat angles C4'-P-C4' energy: -123.572
flat angles P-C4'-P energy: -84.731
tors. eta vs tors. theta energy: -84.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1104.209769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.209769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.209769 (E_RNA)
where:
Base-Base interactions energy: -671.825
where: short stacking energy: -287.740
Base-Backbone interact. energy: 5.502
local terms energy: -437.887025
where:
bonds (distance) C4'-P energy: -104.898
bonds (distance) P-C4' energy: -121.542
flat angles C4'-P-C4' energy: -120.886
flat angles P-C4'-P energy: -68.915
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -921.128033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.128033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.128033 (E_RNA)
where:
Base-Base interactions energy: -489.244
where: short stacking energy: -248.423
Base-Backbone interact. energy: -2.062
local terms energy: -429.822372
where:
bonds (distance) C4'-P energy: -103.023
bonds (distance) P-C4' energy: -121.033
flat angles C4'-P-C4' energy: -114.679
flat angles P-C4'-P energy: -66.945
tors. eta vs tors. theta energy: -24.142
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: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -658.191832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.191832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.191832 (E_RNA)
where:
Base-Base interactions energy: -272.364
where: short stacking energy: -174.969
Base-Backbone interact. energy: 3.616
local terms energy: -389.444722
where:
bonds (distance) C4'-P energy: -109.634
bonds (distance) P-C4' energy: -126.497
flat angles C4'-P-C4' energy: -106.769
flat angles P-C4'-P energy: -58.071
tors. eta vs tors. theta energy: 11.526
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: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2303.288219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.288219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.288219 (E_RNA)
where:
Base-Base interactions energy: -1586.888
where: short stacking energy: -693.896
Base-Backbone interact. energy: -2.343
local terms energy: -714.057806
where:
bonds (distance) C4'-P energy: -121.030
bonds (distance) P-C4' energy: -132.687
flat angles C4'-P-C4' energy: -151.162
flat angles P-C4'-P energy: -101.218
tors. eta vs tors. theta energy: -207.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2241.054419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.054419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.054419 (E_RNA)
where:
Base-Base interactions energy: -1550.322
where: short stacking energy: -674.945
Base-Backbone interact. energy: -3.172
local terms energy: -687.560643
where:
bonds (distance) C4'-P energy: -120.651
bonds (distance) P-C4' energy: -128.210
flat angles C4'-P-C4' energy: -144.791
flat angles P-C4'-P energy: -87.204
tors. eta vs tors. theta energy: -206.704
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: 7
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2131.531753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.531753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.531753 (E_RNA)
where:
Base-Base interactions energy: -1491.062
where: short stacking energy: -604.930
Base-Backbone interact. energy: -1.239
local terms energy: -639.230141
where:
bonds (distance) C4'-P energy: -119.412
bonds (distance) P-C4' energy: -123.186
flat angles C4'-P-C4' energy: -145.139
flat angles P-C4'-P energy: -82.172
tors. eta vs tors. theta energy: -169.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1955.546891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.546891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.546891 (E_RNA)
where:
Base-Base interactions energy: -1328.749
where: short stacking energy: -580.191
Base-Backbone interact. energy: -2.582
local terms energy: -624.215901
where:
bonds (distance) C4'-P energy: -107.890
bonds (distance) P-C4' energy: -117.327
flat angles C4'-P-C4' energy: -137.112
flat angles P-C4'-P energy: -92.239
tors. eta vs tors. theta energy: -169.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1843.931426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.931426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.931426 (E_RNA)
where:
Base-Base interactions energy: -1261.175
where: short stacking energy: -525.964
Base-Backbone interact. energy: -2.788
local terms energy: -579.969048
where:
bonds (distance) C4'-P energy: -107.715
bonds (distance) P-C4' energy: -111.921
flat angles C4'-P-C4' energy: -139.851
flat angles P-C4'-P energy: -76.095
tors. eta vs tors. theta energy: -144.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1750.773870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.773870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.773870 (E_RNA)
where:
Base-Base interactions energy: -1196.580
where: short stacking energy: -523.440
Base-Backbone interact. energy: -3.440
local terms energy: -550.753274
where:
bonds (distance) C4'-P energy: -100.741
bonds (distance) P-C4' energy: -126.521
flat angles C4'-P-C4' energy: -126.928
flat angles P-C4'-P energy: -60.825
tors. eta vs tors. theta energy: -135.738
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: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1410.078095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.078095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.078095 (E_RNA)
where:
Base-Base interactions energy: -908.747
where: short stacking energy: -400.840
Base-Backbone interact. energy: -1.820
local terms energy: -499.511240
where:
bonds (distance) C4'-P energy: -98.906
bonds (distance) P-C4' energy: -112.400
flat angles C4'-P-C4' energy: -127.688
flat angles P-C4'-P energy: -73.289
tors. eta vs tors. theta energy: -87.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1127.014334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.014334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.014334 (E_RNA)
where:
Base-Base interactions energy: -698.222
where: short stacking energy: -298.429
Base-Backbone interact. energy: -0.716
local terms energy: -428.075715
where:
bonds (distance) C4'-P energy: -98.380
bonds (distance) P-C4' energy: -111.504
flat angles C4'-P-C4' energy: -116.683
flat angles P-C4'-P energy: -61.921
tors. eta vs tors. theta energy: -39.588
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: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -943.591259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.591259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.591259 (E_RNA)
where:
Base-Base interactions energy: -530.933
where: short stacking energy: -252.135
Base-Backbone interact. energy: -0.726
local terms energy: -411.932172
where:
bonds (distance) C4'-P energy: -103.944
bonds (distance) P-C4' energy: -113.322
flat angles C4'-P-C4' energy: -108.142
flat angles P-C4'-P energy: -61.777
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -629.307555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.307555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.307555 (E_RNA)
where:
Base-Base interactions energy: -276.899
where: short stacking energy: -159.274
Base-Backbone interact. energy: -1.480
local terms energy: -350.927895
where:
bonds (distance) C4'-P energy: -103.737
bonds (distance) P-C4' energy: -119.034
flat angles C4'-P-C4' energy: -101.313
flat angles P-C4'-P energy: -45.037
tors. eta vs tors. theta energy: 18.193
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: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2334.796136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.796136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.796136 (E_RNA)
where:
Base-Base interactions energy: -1592.296
where: short stacking energy: -694.099
Base-Backbone interact. energy: -2.318
local terms energy: -740.182440
where:
bonds (distance) C4'-P energy: -140.602
bonds (distance) P-C4' energy: -142.634
flat angles C4'-P-C4' energy: -157.125
flat angles P-C4'-P energy: -93.164
tors. eta vs tors. theta energy: -206.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2259.343316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.343316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.343316 (E_RNA)
where:
Base-Base interactions energy: -1549.780
where: short stacking energy: -695.977
Base-Backbone interact. energy: 0.511
local terms energy: -710.074068
where:
bonds (distance) C4'-P energy: -121.614
bonds (distance) P-C4' energy: -129.129
flat angles C4'-P-C4' energy: -149.123
flat angles P-C4'-P energy: -100.478
tors. eta vs tors. theta energy: -209.730
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: 281
Temperature: 1.000000
Total energy: -2113.424820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.424820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.424820 (E_RNA)
where:
Base-Base interactions energy: -1460.228
where: short stacking energy: -608.303
Base-Backbone interact. energy: 2.897
local terms energy: -656.094156
where:
bonds (distance) C4'-P energy: -125.253
bonds (distance) P-C4' energy: -123.077
flat angles C4'-P-C4' energy: -144.307
flat angles P-C4'-P energy: -87.870
tors. eta vs tors. theta energy: -175.587
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: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2001.109824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.109824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.109824 (E_RNA)
where:
Base-Base interactions energy: -1370.436
where: short stacking energy: -613.302
Base-Backbone interact. energy: -3.646
local terms energy: -627.027335
where:
bonds (distance) C4'-P energy: -109.432
bonds (distance) P-C4' energy: -118.816
flat angles C4'-P-C4' energy: -130.160
flat angles P-C4'-P energy: -91.400
tors. eta vs tors. theta energy: -177.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1863.127590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.127590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.127590 (E_RNA)
where:
Base-Base interactions energy: -1290.361
where: short stacking energy: -533.879
Base-Backbone interact. energy: 0.177
local terms energy: -572.944155
where:
bonds (distance) C4'-P energy: -112.836
bonds (distance) P-C4' energy: -98.707
flat angles C4'-P-C4' energy: -132.990
flat angles P-C4'-P energy: -82.597
tors. eta vs tors. theta energy: -145.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1774.836549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.836549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.836549 (E_RNA)
where:
Base-Base interactions energy: -1177.873
where: short stacking energy: -539.882
Base-Backbone interact. energy: -2.304
local terms energy: -594.659127
where:
bonds (distance) C4'-P energy: -119.471
bonds (distance) P-C4' energy: -109.594
flat angles C4'-P-C4' energy: -121.693
flat angles P-C4'-P energy: -90.942
tors. eta vs tors. theta energy: -152.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1410.697295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.697295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.697295 (E_RNA)
where:
Base-Base interactions energy: -908.908
where: short stacking energy: -398.107
Base-Backbone interact. energy: -0.650
local terms energy: -501.138508
where:
bonds (distance) C4'-P energy: -113.226
bonds (distance) P-C4' energy: -128.350
flat angles C4'-P-C4' energy: -116.443
flat angles P-C4'-P energy: -66.817
tors. eta vs tors. theta energy: -76.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1135.557728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.557728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.557728 (E_RNA)
where:
Base-Base interactions energy: -678.456
where: short stacking energy: -331.948
Base-Backbone interact. energy: 0.305
local terms energy: -457.407246
where:
bonds (distance) C4'-P energy: -104.003
bonds (distance) P-C4' energy: -119.284
flat angles C4'-P-C4' energy: -112.309
flat angles P-C4'-P energy: -62.370
tors. eta vs tors. theta energy: -59.441
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: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -922.259309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.259309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.259309 (E_RNA)
where:
Base-Base interactions energy: -531.283
where: short stacking energy: -261.113
Base-Backbone interact. energy: -3.283
local terms energy: -387.693103
where:
bonds (distance) C4'-P energy: -99.693
bonds (distance) P-C4' energy: -119.786
flat angles C4'-P-C4' energy: -93.169
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: -13.650
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: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -602.717800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.717800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.717800 (E_RNA)
where:
Base-Base interactions energy: -243.954
where: short stacking energy: -154.494
Base-Backbone interact. energy: -5.405
local terms energy: -353.359082
where:
bonds (distance) C4'-P energy: -107.101
bonds (distance) P-C4' energy: -109.628
flat angles C4'-P-C4' energy: -85.506
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: 15.643
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: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2265.748985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.748985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.748985 (E_RNA)
where:
Base-Base interactions energy: -1555.577
where: short stacking energy: -704.900
Base-Backbone interact. energy: 0.995
local terms energy: -711.166655
where:
bonds (distance) C4'-P energy: -120.237
bonds (distance) P-C4' energy: -140.433
flat angles C4'-P-C4' energy: -152.157
flat angles P-C4'-P energy: -101.422
tors. eta vs tors. theta energy: -196.919
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: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2217.932364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.932364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.932364 (E_RNA)
where:
Base-Base interactions energy: -1519.007
where: short stacking energy: -673.464
Base-Backbone interact. energy: -1.016
local terms energy: -697.908636
where:
bonds (distance) C4'-P energy: -126.457
bonds (distance) P-C4' energy: -124.823
flat angles C4'-P-C4' energy: -150.114
flat angles P-C4'-P energy: -95.946
tors. eta vs tors. theta energy: -200.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2085.666809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.666809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.666809 (E_RNA)
where:
Base-Base interactions energy: -1429.832
where: short stacking energy: -601.468
Base-Backbone interact. energy: -0.854
local terms energy: -654.981445
where:
bonds (distance) C4'-P energy: -125.268
bonds (distance) P-C4' energy: -138.729
flat angles C4'-P-C4' energy: -143.688
flat angles P-C4'-P energy: -77.616
tors. eta vs tors. theta energy: -169.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1972.158603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.158603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.158603 (E_RNA)
where:
Base-Base interactions energy: -1338.012
where: short stacking energy: -588.905
Base-Backbone interact. energy: -2.749
local terms energy: -631.397716
where:
bonds (distance) C4'-P energy: -123.654
bonds (distance) P-C4' energy: -119.813
flat angles C4'-P-C4' energy: -137.629
flat angles P-C4'-P energy: -95.544
tors. eta vs tors. theta energy: -154.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1874.967859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.967859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.967859 (E_RNA)
where:
Base-Base interactions energy: -1300.934
where: short stacking energy: -530.803
Base-Backbone interact. energy: -3.080
local terms energy: -570.953579
where:
bonds (distance) C4'-P energy: -107.111
bonds (distance) P-C4' energy: -111.915
flat angles C4'-P-C4' energy: -118.891
flat angles P-C4'-P energy: -92.512
tors. eta vs tors. theta energy: -140.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1755.433799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.433799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.433799 (E_RNA)
where:
Base-Base interactions energy: -1168.353
where: short stacking energy: -531.414
Base-Backbone interact. energy: 0.121
local terms energy: -587.201649
where:
bonds (distance) C4'-P energy: -100.112
bonds (distance) P-C4' energy: -128.168
flat angles C4'-P-C4' energy: -124.149
flat angles P-C4'-P energy: -74.034
tors. eta vs tors. theta energy: -160.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1417.081197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.081197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.081197 (E_RNA)
where:
Base-Base interactions energy: -928.500
where: short stacking energy: -401.810
Base-Backbone interact. energy: -0.752
local terms energy: -487.829210
where:
bonds (distance) C4'-P energy: -109.226
bonds (distance) P-C4' energy: -113.654
flat angles C4'-P-C4' energy: -116.176
flat angles P-C4'-P energy: -68.512
tors. eta vs tors. theta energy: -80.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1105.990104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.990104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.990104 (E_RNA)
where:
Base-Base interactions energy: -683.997
where: short stacking energy: -323.987
Base-Backbone interact. energy: 4.710
local terms energy: -426.703226
where:
bonds (distance) C4'-P energy: -122.149
bonds (distance) P-C4' energy: -118.816
flat angles C4'-P-C4' energy: -103.212
flat angles P-C4'-P energy: -41.728
tors. eta vs tors. theta energy: -40.798
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: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -892.528674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.528674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.528674 (E_RNA)
where:
Base-Base interactions energy: -485.149
where: short stacking energy: -244.346
Base-Backbone interact. energy: 7.010
local terms energy: -414.389097
where:
bonds (distance) C4'-P energy: -103.680
bonds (distance) P-C4' energy: -104.959
flat angles C4'-P-C4' energy: -120.108
flat angles P-C4'-P energy: -56.593
tors. eta vs tors. theta energy: -29.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -659.160477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.160477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.160477 (E_RNA)
where:
Base-Base interactions energy: -283.595
where: short stacking energy: -162.005
Base-Backbone interact. energy: 0.191
local terms energy: -375.756806
where:
bonds (distance) C4'-P energy: -129.197
bonds (distance) P-C4' energy: -109.355
flat angles C4'-P-C4' energy: -79.232
flat angles P-C4'-P energy: -71.756
tors. eta vs tors. theta energy: 13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2296.542283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.542283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.542283 (E_RNA)
where:
Base-Base interactions energy: -1558.042
where: short stacking energy: -695.788
Base-Backbone interact. energy: -0.609
local terms energy: -737.891338
where:
bonds (distance) C4'-P energy: -129.066
bonds (distance) P-C4' energy: -146.735
flat angles C4'-P-C4' energy: -153.856
flat angles P-C4'-P energy: -95.456
tors. eta vs tors. theta energy: -212.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2232.882711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.882711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.882711 (E_RNA)
where:
Base-Base interactions energy: -1519.377
where: short stacking energy: -659.715
Base-Backbone interact. energy: -4.034
local terms energy: -709.472380
where:
bonds (distance) C4'-P energy: -129.895
bonds (distance) P-C4' energy: -122.765
flat angles C4'-P-C4' energy: -160.349
flat angles P-C4'-P energy: -98.355
tors. eta vs tors. theta energy: -198.109
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: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2085.938004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.938004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.938004 (E_RNA)
where:
Base-Base interactions energy: -1407.784
where: short stacking energy: -595.180
Base-Backbone interact. energy: -3.833
local terms energy: -674.320618
where:
bonds (distance) C4'-P energy: -121.593
bonds (distance) P-C4' energy: -127.453
flat angles C4'-P-C4' energy: -152.272
flat angles P-C4'-P energy: -96.328
tors. eta vs tors. theta energy: -176.675
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: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2010.780532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.780532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.780532 (E_RNA)
where:
Base-Base interactions energy: -1353.192
where: short stacking energy: -626.943
Base-Backbone interact. energy: -1.976
local terms energy: -655.612157
where:
bonds (distance) C4'-P energy: -116.813
bonds (distance) P-C4' energy: -122.902
flat angles C4'-P-C4' energy: -142.220
flat angles P-C4'-P energy: -91.352
tors. eta vs tors. theta energy: -182.326
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: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1895.739271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.739271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.739271 (E_RNA)
where:
Base-Base interactions energy: -1284.671
where: short stacking energy: -516.419
Base-Backbone interact. energy: -4.562
local terms energy: -606.506089
where:
bonds (distance) C4'-P energy: -93.702
bonds (distance) P-C4' energy: -133.265
flat angles C4'-P-C4' energy: -143.297
flat angles P-C4'-P energy: -85.916
tors. eta vs tors. theta energy: -150.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1746.417765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.417765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.417765 (E_RNA)
where:
Base-Base interactions energy: -1156.326
where: short stacking energy: -512.597
Base-Backbone interact. energy: 0.776
local terms energy: -590.867877
where:
bonds (distance) C4'-P energy: -108.260
bonds (distance) P-C4' energy: -130.862
flat angles C4'-P-C4' energy: -121.466
flat angles P-C4'-P energy: -81.650
tors. eta vs tors. theta energy: -148.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1502.077367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.077367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.077367 (E_RNA)
where:
Base-Base interactions energy: -970.400
where: short stacking energy: -463.135
Base-Backbone interact. energy: 0.137
local terms energy: -531.814117
where:
bonds (distance) C4'-P energy: -110.348
bonds (distance) P-C4' energy: -127.194
flat angles C4'-P-C4' energy: -113.534
flat angles P-C4'-P energy: -77.617
tors. eta vs tors. theta energy: -103.121
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: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1157.111916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.111916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.111916 (E_RNA)
where:
Base-Base interactions energy: -707.135
where: short stacking energy: -344.533
Base-Backbone interact. energy: -3.203
local terms energy: -446.773629
where:
bonds (distance) C4'-P energy: -108.714
bonds (distance) P-C4' energy: -114.790
flat angles C4'-P-C4' energy: -112.397
flat angles P-C4'-P energy: -57.425
tors. eta vs tors. theta energy: -53.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -870.335833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.335833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.335833 (E_RNA)
where:
Base-Base interactions energy: -470.215
where: short stacking energy: -256.868
Base-Backbone interact. energy: -2.098
local terms energy: -398.023066
where:
bonds (distance) C4'-P energy: -109.692
bonds (distance) P-C4' energy: -114.683
flat angles C4'-P-C4' energy: -101.775
flat angles P-C4'-P energy: -58.695
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -697.864795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.864795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.864795 (E_RNA)
where:
Base-Base interactions energy: -320.974
where: short stacking energy: -189.920
Base-Backbone interact. energy: -3.134
local terms energy: -373.757632
where:
bonds (distance) C4'-P energy: -118.895
bonds (distance) P-C4' energy: -116.209
flat angles C4'-P-C4' energy: -88.463
flat angles P-C4'-P energy: -42.296
tors. eta vs tors. theta energy: -7.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2277.924728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.924728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.924728 (E_RNA)
where:
Base-Base interactions energy: -1516.302
where: short stacking energy: -690.150
Base-Backbone interact. energy: -1.572
local terms energy: -760.050967
where:
bonds (distance) C4'-P energy: -143.069
bonds (distance) P-C4' energy: -142.026
flat angles C4'-P-C4' energy: -151.951
flat angles P-C4'-P energy: -111.765
tors. eta vs tors. theta energy: -211.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2245.538225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.538225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.538225 (E_RNA)
where:
Base-Base interactions energy: -1543.409
where: short stacking energy: -691.962
Base-Backbone interact. energy: -2.134
local terms energy: -699.995633
where:
bonds (distance) C4'-P energy: -124.867
bonds (distance) P-C4' energy: -128.332
flat angles C4'-P-C4' energy: -131.708
flat angles P-C4'-P energy: -106.763
tors. eta vs tors. theta energy: -208.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2095.445724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.445724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.445724 (E_RNA)
where:
Base-Base interactions energy: -1478.573
where: short stacking energy: -595.799
Base-Backbone interact. energy: 0.561
local terms energy: -617.434434
where:
bonds (distance) C4'-P energy: -111.843
bonds (distance) P-C4' energy: -126.386
flat angles C4'-P-C4' energy: -136.710
flat angles P-C4'-P energy: -87.889
tors. eta vs tors. theta energy: -154.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2026.756081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.756081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.756081 (E_RNA)
where:
Base-Base interactions energy: -1392.524
where: short stacking energy: -607.758
Base-Backbone interact. energy: -2.257
local terms energy: -631.974630
where:
bonds (distance) C4'-P energy: -112.754
bonds (distance) P-C4' energy: -125.957
flat angles C4'-P-C4' energy: -154.493
flat angles P-C4'-P energy: -82.490
tors. eta vs tors. theta energy: -156.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1906.353398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.353398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.353398 (E_RNA)
where:
Base-Base interactions energy: -1306.690
where: short stacking energy: -542.384
Base-Backbone interact. energy: -0.771
local terms energy: -598.891770
where:
bonds (distance) C4'-P energy: -115.911
bonds (distance) P-C4' energy: -107.876
flat angles C4'-P-C4' energy: -133.516
flat angles P-C4'-P energy: -81.214
tors. eta vs tors. theta energy: -160.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1747.047602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.047602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.047602 (E_RNA)
where:
Base-Base interactions energy: -1129.718
where: short stacking energy: -522.668
Base-Backbone interact. energy: -1.427
local terms energy: -615.902531
where:
bonds (distance) C4'-P energy: -116.531
bonds (distance) P-C4' energy: -123.696
flat angles C4'-P-C4' energy: -147.040
flat angles P-C4'-P energy: -80.764
tors. eta vs tors. theta energy: -147.871
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: 284
Temperature: 1.200000
Total energy: -1495.357720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.357720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.357720 (E_RNA)
where:
Base-Base interactions energy: -1002.677
where: short stacking energy: -440.618
Base-Backbone interact. energy: -2.159
local terms energy: -490.521888
where:
bonds (distance) C4'-P energy: -103.780
bonds (distance) P-C4' energy: -107.554
flat angles C4'-P-C4' energy: -114.380
flat angles P-C4'-P energy: -63.794
tors. eta vs tors. theta energy: -101.014
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: 284
Temperature: 1.250000
Total energy: -1163.425030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.425030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.425030 (E_RNA)
where:
Base-Base interactions energy: -717.530
where: short stacking energy: -327.588
Base-Backbone interact. energy: 4.318
local terms energy: -450.212688
where:
bonds (distance) C4'-P energy: -113.930
bonds (distance) P-C4' energy: -113.681
flat angles C4'-P-C4' energy: -111.695
flat angles P-C4'-P energy: -60.539
tors. eta vs tors. theta energy: -50.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -930.414922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.414922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.414922 (E_RNA)
where:
Base-Base interactions energy: -552.342
where: short stacking energy: -271.045
Base-Backbone interact. energy: 0.194
local terms energy: -378.267282
where:
bonds (distance) C4'-P energy: -100.920
bonds (distance) P-C4' energy: -117.119
flat angles C4'-P-C4' energy: -85.123
flat angles P-C4'-P energy: -57.510
tors. eta vs tors. theta energy: -17.596
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: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -689.841752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.841752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.841752 (E_RNA)
where:
Base-Base interactions energy: -324.825
where: short stacking energy: -194.496
Base-Backbone interact. energy: 4.098
local terms energy: -369.114869
where:
bonds (distance) C4'-P energy: -108.355
bonds (distance) P-C4' energy: -101.159
flat angles C4'-P-C4' energy: -98.080
flat angles P-C4'-P energy: -60.397
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: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2265.816234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.816234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.816234 (E_RNA)
where:
Base-Base interactions energy: -1536.534
where: short stacking energy: -686.447
Base-Backbone interact. energy: -2.792
local terms energy: -726.489637
where:
bonds (distance) C4'-P energy: -128.315
bonds (distance) P-C4' energy: -126.540
flat angles C4'-P-C4' energy: -155.847
flat angles P-C4'-P energy: -105.524
tors. eta vs tors. theta energy: -210.264
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: 285
Temperature: 0.950000
Total energy: -2257.368838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.368838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.368838 (E_RNA)
where:
Base-Base interactions energy: -1557.803
where: short stacking energy: -696.059
Base-Backbone interact. energy: -2.646
local terms energy: -696.919003
where:
bonds (distance) C4'-P energy: -120.023
bonds (distance) P-C4' energy: -138.968
flat angles C4'-P-C4' energy: -142.322
flat angles P-C4'-P energy: -92.933
tors. eta vs tors. theta energy: -202.673
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: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2114.117175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.117175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.117175 (E_RNA)
where:
Base-Base interactions energy: -1463.860
where: short stacking energy: -599.741
Base-Backbone interact. energy: -3.550
local terms energy: -646.706831
where:
bonds (distance) C4'-P energy: -124.521
bonds (distance) P-C4' energy: -119.044
flat angles C4'-P-C4' energy: -133.555
flat angles P-C4'-P energy: -97.487
tors. eta vs tors. theta energy: -172.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2011.840545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.840545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.840545 (E_RNA)
where:
Base-Base interactions energy: -1380.020
where: short stacking energy: -626.999
Base-Backbone interact. energy: 0.624
local terms energy: -632.445240
where:
bonds (distance) C4'-P energy: -110.679
bonds (distance) P-C4' energy: -108.843
flat angles C4'-P-C4' energy: -131.085
flat angles P-C4'-P energy: -99.270
tors. eta vs tors. theta energy: -182.569
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: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1889.628335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.628335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.628335 (E_RNA)
where:
Base-Base interactions energy: -1304.628
where: short stacking energy: -525.061
Base-Backbone interact. energy: -0.209
local terms energy: -584.791249
where:
bonds (distance) C4'-P energy: -106.525
bonds (distance) P-C4' energy: -115.945
flat angles C4'-P-C4' energy: -128.272
flat angles P-C4'-P energy: -84.620
tors. eta vs tors. theta energy: -149.429
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: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1757.163559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.163559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.163559 (E_RNA)
where:
Base-Base interactions energy: -1159.223
where: short stacking energy: -531.218
Base-Backbone interact. energy: -0.957
local terms energy: -596.983611
where:
bonds (distance) C4'-P energy: -126.904
bonds (distance) P-C4' energy: -109.169
flat angles C4'-P-C4' energy: -129.712
flat angles P-C4'-P energy: -86.136
tors. eta vs tors. theta energy: -145.062
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: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1529.346892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.346892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.346892 (E_RNA)
where:
Base-Base interactions energy: -1014.494
where: short stacking energy: -448.527
Base-Backbone interact. energy: -2.215
local terms energy: -512.638290
where:
bonds (distance) C4'-P energy: -115.125
bonds (distance) P-C4' energy: -111.328
flat angles C4'-P-C4' energy: -129.068
flat angles P-C4'-P energy: -66.421
tors. eta vs tors. theta energy: -90.696
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: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1251.675955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.675955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.675955 (E_RNA)
where:
Base-Base interactions energy: -819.109
where: short stacking energy: -358.195
Base-Backbone interact. energy: -1.997
local terms energy: -430.570296
where:
bonds (distance) C4'-P energy: -89.640
bonds (distance) P-C4' energy: -119.783
flat angles C4'-P-C4' energy: -79.796
flat angles P-C4'-P energy: -69.801
tors. eta vs tors. theta energy: -71.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -960.505768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.505768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.505768 (E_RNA)
where:
Base-Base interactions energy: -552.908
where: short stacking energy: -276.073
Base-Backbone interact. energy: 4.583
local terms energy: -412.180840
where:
bonds (distance) C4'-P energy: -102.422
bonds (distance) P-C4' energy: -114.317
flat angles C4'-P-C4' energy: -111.707
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: -33.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -688.820096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.820096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.820096 (E_RNA)
where:
Base-Base interactions energy: -369.489
where: short stacking energy: -212.549
Base-Backbone interact. energy: 3.218
local terms energy: -322.548831
where:
bonds (distance) C4'-P energy: -89.201
bonds (distance) P-C4' energy: -107.372
flat angles C4'-P-C4' energy: -72.274
flat angles P-C4'-P energy: -52.872
tors. eta vs tors. theta energy: -0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2296.040942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.040942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.040942 (E_RNA)
where:
Base-Base interactions energy: -1565.672
where: short stacking energy: -708.076
Base-Backbone interact. energy: 0.358
local terms energy: -730.726916
where:
bonds (distance) C4'-P energy: -138.877
bonds (distance) P-C4' energy: -131.402
flat angles C4'-P-C4' energy: -158.203
flat angles P-C4'-P energy: -88.300
tors. eta vs tors. theta energy: -213.947
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: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2237.229480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.229480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.229480 (E_RNA)
where:
Base-Base interactions energy: -1517.281
where: short stacking energy: -671.180
Base-Backbone interact. energy: 0.626
local terms energy: -720.574073
where:
bonds (distance) C4'-P energy: -131.580
bonds (distance) P-C4' energy: -139.967
flat angles C4'-P-C4' energy: -138.726
flat angles P-C4'-P energy: -111.551
tors. eta vs tors. theta energy: -198.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2084.213018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.213018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.213018 (E_RNA)
where:
Base-Base interactions energy: -1422.996
where: short stacking energy: -582.274
Base-Backbone interact. energy: -4.709
local terms energy: -656.508197
where:
bonds (distance) C4'-P energy: -121.304
bonds (distance) P-C4' energy: -132.731
flat angles C4'-P-C4' energy: -135.679
flat angles P-C4'-P energy: -98.669
tors. eta vs tors. theta energy: -168.124
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: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1988.309564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.309564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.309564 (E_RNA)
where:
Base-Base interactions energy: -1338.388
where: short stacking energy: -593.985
Base-Backbone interact. energy: -3.078
local terms energy: -646.844090
where:
bonds (distance) C4'-P energy: -130.685
bonds (distance) P-C4' energy: -105.586
flat angles C4'-P-C4' energy: -146.236
flat angles P-C4'-P energy: -87.195
tors. eta vs tors. theta energy: -177.142
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: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1994.689062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.689062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.689062 (E_RNA)
where:
Base-Base interactions energy: -1373.299
where: short stacking energy: -536.924
Base-Backbone interact. energy: -2.677
local terms energy: -618.712986
where:
bonds (distance) C4'-P energy: -109.271
bonds (distance) P-C4' energy: -119.913
flat angles C4'-P-C4' energy: -139.090
flat angles P-C4'-P energy: -89.718
tors. eta vs tors. theta energy: -160.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1742.148280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.148280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.148280 (E_RNA)
where:
Base-Base interactions energy: -1150.182
where: short stacking energy: -529.991
Base-Backbone interact. energy: -2.240
local terms energy: -589.726697
where:
bonds (distance) C4'-P energy: -102.079
bonds (distance) P-C4' energy: -118.623
flat angles C4'-P-C4' energy: -135.732
flat angles P-C4'-P energy: -86.936
tors. eta vs tors. theta energy: -146.357
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: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1562.302829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.302829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.302829 (E_RNA)
where:
Base-Base interactions energy: -1030.039
where: short stacking energy: -441.534
Base-Backbone interact. energy: -1.593
local terms energy: -530.670631
where:
bonds (distance) C4'-P energy: -115.208
bonds (distance) P-C4' energy: -119.517
flat angles C4'-P-C4' energy: -100.065
flat angles P-C4'-P energy: -90.450
tors. eta vs tors. theta energy: -105.430
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: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1208.617824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.617824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.617824 (E_RNA)
where:
Base-Base interactions energy: -762.387
where: short stacking energy: -326.177
Base-Backbone interact. energy: 2.164
local terms energy: -448.394531
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -127.204
flat angles C4'-P-C4' energy: -108.489
flat angles P-C4'-P energy: -63.256
tors. eta vs tors. theta energy: -42.098
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: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -984.072896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.072896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.072896 (E_RNA)
where:
Base-Base interactions energy: -569.143
where: short stacking energy: -276.229
Base-Backbone interact. energy: -0.950
local terms energy: -413.979923
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -114.264
flat angles C4'-P-C4' energy: -104.241
flat angles P-C4'-P energy: -49.614
tors. eta vs tors. theta energy: -31.706
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: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -741.775942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.775942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.775942 (E_RNA)
where:
Base-Base interactions energy: -377.240
where: short stacking energy: -203.894
Base-Backbone interact. energy: -2.591
local terms energy: -361.944998
where:
bonds (distance) C4'-P energy: -92.143
bonds (distance) P-C4' energy: -115.294
flat angles C4'-P-C4' energy: -96.660
flat angles P-C4'-P energy: -66.906
tors. eta vs tors. theta energy: 9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2312.109827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.109827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.109827 (E_RNA)
where:
Base-Base interactions energy: -1585.188
where: short stacking energy: -711.309
Base-Backbone interact. energy: -1.516
local terms energy: -725.406014
where:
bonds (distance) C4'-P energy: -118.926
bonds (distance) P-C4' energy: -128.757
flat angles C4'-P-C4' energy: -160.311
flat angles P-C4'-P energy: -104.912
tors. eta vs tors. theta energy: -212.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2263.777853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.777853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.777853 (E_RNA)
where:
Base-Base interactions energy: -1563.977
where: short stacking energy: -678.532
Base-Backbone interact. energy: -3.162
local terms energy: -696.638678
where:
bonds (distance) C4'-P energy: -113.840
bonds (distance) P-C4' energy: -126.423
flat angles C4'-P-C4' energy: -143.710
flat angles P-C4'-P energy: -112.040
tors. eta vs tors. theta energy: -200.626
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: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2100.587130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.587130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.587130 (E_RNA)
where:
Base-Base interactions energy: -1462.022
where: short stacking energy: -608.343
Base-Backbone interact. energy: -1.771
local terms energy: -636.794129
where:
bonds (distance) C4'-P energy: -123.564
bonds (distance) P-C4' energy: -119.195
flat angles C4'-P-C4' energy: -139.518
flat angles P-C4'-P energy: -89.807
tors. eta vs tors. theta energy: -164.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2046.849328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.849328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.849328 (E_RNA)
where:
Base-Base interactions energy: -1448.731
where: short stacking energy: -576.263
Base-Backbone interact. energy: 4.180
local terms energy: -602.298602
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -115.989
flat angles C4'-P-C4' energy: -140.063
flat angles P-C4'-P energy: -94.062
tors. eta vs tors. theta energy: -140.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1995.382558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.382558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.382558 (E_RNA)
where:
Base-Base interactions energy: -1367.386
where: short stacking energy: -611.869
Base-Backbone interact. energy: -3.485
local terms energy: -624.511540
where:
bonds (distance) C4'-P energy: -103.434
bonds (distance) P-C4' energy: -126.193
flat angles C4'-P-C4' energy: -129.813
flat angles P-C4'-P energy: -82.934
tors. eta vs tors. theta energy: -182.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1762.029286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.029286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.029286 (E_RNA)
where:
Base-Base interactions energy: -1171.249
where: short stacking energy: -528.380
Base-Backbone interact. energy: 1.511
local terms energy: -592.290935
where:
bonds (distance) C4'-P energy: -107.764
bonds (distance) P-C4' energy: -127.395
flat angles C4'-P-C4' energy: -124.433
flat angles P-C4'-P energy: -78.073
tors. eta vs tors. theta energy: -154.626
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: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1537.277783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.277783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.277783 (E_RNA)
where:
Base-Base interactions energy: -1033.307
where: short stacking energy: -448.740
Base-Backbone interact. energy: 6.169
local terms energy: -510.139421
where:
bonds (distance) C4'-P energy: -110.904
bonds (distance) P-C4' energy: -107.632
flat angles C4'-P-C4' energy: -114.338
flat angles P-C4'-P energy: -69.575
tors. eta vs tors. theta energy: -107.691
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: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1256.978531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.978531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.978531 (E_RNA)
where:
Base-Base interactions energy: -758.885
where: short stacking energy: -341.448
Base-Backbone interact. energy: -1.431
local terms energy: -496.662451
where:
bonds (distance) C4'-P energy: -105.518
bonds (distance) P-C4' energy: -118.713
flat angles C4'-P-C4' energy: -121.790
flat angles P-C4'-P energy: -74.413
tors. eta vs tors. theta energy: -76.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -985.089739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.089739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.089739 (E_RNA)
where:
Base-Base interactions energy: -562.720
where: short stacking energy: -282.512
Base-Backbone interact. energy: -2.623
local terms energy: -419.746822
where:
bonds (distance) C4'-P energy: -106.292
bonds (distance) P-C4' energy: -94.624
flat angles C4'-P-C4' energy: -102.714
flat angles P-C4'-P energy: -76.034
tors. eta vs tors. theta energy: -40.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -739.311335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.311335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.311335 (E_RNA)
where:
Base-Base interactions energy: -378.776
where: short stacking energy: -208.640
Base-Backbone interact. energy: 5.149
local terms energy: -365.684326
where:
bonds (distance) C4'-P energy: -85.938
bonds (distance) P-C4' energy: -115.718
flat angles C4'-P-C4' energy: -106.826
flat angles P-C4'-P energy: -51.305
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: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2306.029296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.029296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.029296 (E_RNA)
where:
Base-Base interactions energy: -1576.765
where: short stacking energy: -704.041
Base-Backbone interact. energy: -1.315
local terms energy: -727.948831
where:
bonds (distance) C4'-P energy: -133.690
bonds (distance) P-C4' energy: -133.826
flat angles C4'-P-C4' energy: -153.371
flat angles P-C4'-P energy: -94.858
tors. eta vs tors. theta energy: -212.204
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: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2329.439787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.439787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.439787 (E_RNA)
where:
Base-Base interactions energy: -1608.195
where: short stacking energy: -717.233
Base-Backbone interact. energy: 0.325
local terms energy: -721.569833
where:
bonds (distance) C4'-P energy: -116.165
bonds (distance) P-C4' energy: -132.611
flat angles C4'-P-C4' energy: -154.191
flat angles P-C4'-P energy: -108.810
tors. eta vs tors. theta energy: -209.793
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: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2089.166565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.166565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.166565 (E_RNA)
where:
Base-Base interactions energy: -1451.137
where: short stacking energy: -626.642
Base-Backbone interact. energy: -0.465
local terms energy: -637.563990
where:
bonds (distance) C4'-P energy: -125.379
bonds (distance) P-C4' energy: -127.887
flat angles C4'-P-C4' energy: -134.366
flat angles P-C4'-P energy: -78.940
tors. eta vs tors. theta energy: -170.992
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: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2019.846025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.846025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.846025 (E_RNA)
where:
Base-Base interactions energy: -1369.142
where: short stacking energy: -566.615
Base-Backbone interact. energy: 1.963
local terms energy: -652.666400
where:
bonds (distance) C4'-P energy: -129.259
bonds (distance) P-C4' energy: -114.887
flat angles C4'-P-C4' energy: -148.668
flat angles P-C4'-P energy: -88.261
tors. eta vs tors. theta energy: -171.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1978.068651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.068651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.068651 (E_RNA)
where:
Base-Base interactions energy: -1360.199
where: short stacking energy: -596.179
Base-Backbone interact. energy: -2.199
local terms energy: -615.670207
where:
bonds (distance) C4'-P energy: -114.041
bonds (distance) P-C4' energy: -109.308
flat angles C4'-P-C4' energy: -140.761
flat angles P-C4'-P energy: -83.022
tors. eta vs tors. theta energy: -168.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1843.789708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.789708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.789708 (E_RNA)
where:
Base-Base interactions energy: -1253.246
where: short stacking energy: -564.419
Base-Backbone interact. energy: -1.454
local terms energy: -589.089666
where:
bonds (distance) C4'-P energy: -117.688
bonds (distance) P-C4' energy: -124.924
flat angles C4'-P-C4' energy: -124.402
flat angles P-C4'-P energy: -66.600
tors. eta vs tors. theta energy: -155.477
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: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1541.636710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.636710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.636710 (E_RNA)
where:
Base-Base interactions energy: -1017.546
where: short stacking energy: -444.208
Base-Backbone interact. energy: -3.311
local terms energy: -520.780194
where:
bonds (distance) C4'-P energy: -96.804
bonds (distance) P-C4' energy: -118.289
flat angles C4'-P-C4' energy: -119.055
flat angles P-C4'-P energy: -74.324
tors. eta vs tors. theta energy: -112.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1290.807224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.807224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.807224 (E_RNA)
where:
Base-Base interactions energy: -802.372
where: short stacking energy: -371.590
Base-Backbone interact. energy: -2.792
local terms energy: -485.643705
where:
bonds (distance) C4'-P energy: -97.777
bonds (distance) P-C4' energy: -110.364
flat angles C4'-P-C4' energy: -113.264
flat angles P-C4'-P energy: -76.848
tors. eta vs tors. theta energy: -87.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1014.205485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.205485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.205485 (E_RNA)
where:
Base-Base interactions energy: -577.029
where: short stacking energy: -309.700
Base-Backbone interact. energy: 0.306
local terms energy: -437.482109
where:
bonds (distance) C4'-P energy: -109.909
bonds (distance) P-C4' energy: -128.642
flat angles C4'-P-C4' energy: -88.108
flat angles P-C4'-P energy: -64.198
tors. eta vs tors. theta energy: -46.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -751.866675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.866675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.866675 (E_RNA)
where:
Base-Base interactions energy: -386.895
where: short stacking energy: -201.770
Base-Backbone interact. energy: -1.227
local terms energy: -363.744331
where:
bonds (distance) C4'-P energy: -106.844
bonds (distance) P-C4' energy: -105.480
flat angles C4'-P-C4' energy: -96.552
flat angles P-C4'-P energy: -57.233
tors. eta vs tors. theta energy: 2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2286.727073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.727073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.727073 (E_RNA)
where:
Base-Base interactions energy: -1549.631
where: short stacking energy: -699.965
Base-Backbone interact. energy: -4.754
local terms energy: -732.341414
where:
bonds (distance) C4'-P energy: -129.782
bonds (distance) P-C4' energy: -133.099
flat angles C4'-P-C4' energy: -151.675
flat angles P-C4'-P energy: -101.863
tors. eta vs tors. theta energy: -215.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2297.921981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.921981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.921981 (E_RNA)
where:
Base-Base interactions energy: -1579.374
where: short stacking energy: -665.872
Base-Backbone interact. energy: -1.627
local terms energy: -716.921264
where:
bonds (distance) C4'-P energy: -121.414
bonds (distance) P-C4' energy: -140.853
flat angles C4'-P-C4' energy: -146.727
flat angles P-C4'-P energy: -94.873
tors. eta vs tors. theta energy: -213.055
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: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2090.854379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.854379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.854379 (E_RNA)
where:
Base-Base interactions energy: -1442.981
where: short stacking energy: -580.564
Base-Backbone interact. energy: 0.935
local terms energy: -648.808487
where:
bonds (distance) C4'-P energy: -130.946
bonds (distance) P-C4' energy: -132.110
flat angles C4'-P-C4' energy: -138.331
flat angles P-C4'-P energy: -86.840
tors. eta vs tors. theta energy: -160.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1982.708186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.708186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.708186 (E_RNA)
where:
Base-Base interactions energy: -1348.752
where: short stacking energy: -578.012
Base-Backbone interact. energy: -2.795
local terms energy: -631.160499
where:
bonds (distance) C4'-P energy: -118.514
bonds (distance) P-C4' energy: -131.281
flat angles C4'-P-C4' energy: -138.306
flat angles P-C4'-P energy: -88.943
tors. eta vs tors. theta energy: -154.116
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: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1934.116540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.116540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.116540 (E_RNA)
where:
Base-Base interactions energy: -1321.334
where: short stacking energy: -546.259
Base-Backbone interact. energy: -2.611
local terms energy: -610.171465
where:
bonds (distance) C4'-P energy: -120.160
bonds (distance) P-C4' energy: -137.403
flat angles C4'-P-C4' energy: -131.378
flat angles P-C4'-P energy: -74.199
tors. eta vs tors. theta energy: -147.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1772.742311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.742311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.742311 (E_RNA)
where:
Base-Base interactions energy: -1191.354
where: short stacking energy: -526.591
Base-Backbone interact. energy: -0.163
local terms energy: -581.225604
where:
bonds (distance) C4'-P energy: -115.337
bonds (distance) P-C4' energy: -133.495
flat angles C4'-P-C4' energy: -114.401
flat angles P-C4'-P energy: -78.019
tors. eta vs tors. theta energy: -139.974
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: 289
Temperature: 1.200000
Total energy: -1552.074203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.074203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.074203 (E_RNA)
where:
Base-Base interactions energy: -1018.276
where: short stacking energy: -424.379
Base-Backbone interact. energy: -1.191
local terms energy: -532.606535
where:
bonds (distance) C4'-P energy: -109.412
bonds (distance) P-C4' energy: -115.095
flat angles C4'-P-C4' energy: -113.647
flat angles P-C4'-P energy: -92.569
tors. eta vs tors. theta energy: -101.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1206.645031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.645031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.645031 (E_RNA)
where:
Base-Base interactions energy: -762.247
where: short stacking energy: -343.076
Base-Backbone interact. energy: 1.152
local terms energy: -445.550136
where:
bonds (distance) C4'-P energy: -118.044
bonds (distance) P-C4' energy: -98.130
flat angles C4'-P-C4' energy: -107.115
flat angles P-C4'-P energy: -56.168
tors. eta vs tors. theta energy: -66.093
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: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1019.664508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.664508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.664508 (E_RNA)
where:
Base-Base interactions energy: -607.025
where: short stacking energy: -299.126
Base-Backbone interact. energy: 1.139
local terms energy: -413.778232
where:
bonds (distance) C4'-P energy: -87.942
bonds (distance) P-C4' energy: -95.302
flat angles C4'-P-C4' energy: -103.304
flat angles P-C4'-P energy: -75.387
tors. eta vs tors. theta energy: -51.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -702.099145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.099145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.099145 (E_RNA)
where:
Base-Base interactions energy: -326.347
where: short stacking energy: -187.727
Base-Backbone interact. energy: 6.283
local terms energy: -382.035437
where:
bonds (distance) C4'-P energy: -111.010
bonds (distance) P-C4' energy: -125.855
flat angles C4'-P-C4' energy: -106.606
flat angles P-C4'-P energy: -51.688
tors. eta vs tors. theta energy: 13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2297.642452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.642452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.642452 (E_RNA)
where:
Base-Base interactions energy: -1559.283
where: short stacking energy: -671.859
Base-Backbone interact. energy: 0.093
local terms energy: -738.453135
where:
bonds (distance) C4'-P energy: -135.017
bonds (distance) P-C4' energy: -136.879
flat angles C4'-P-C4' energy: -160.036
flat angles P-C4'-P energy: -94.837
tors. eta vs tors. theta energy: -211.685
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: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2277.381756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.381756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.381756 (E_RNA)
where:
Base-Base interactions energy: -1546.302
where: short stacking energy: -681.192
Base-Backbone interact. energy: -0.398
local terms energy: -730.681180
where:
bonds (distance) C4'-P energy: -130.296
bonds (distance) P-C4' energy: -146.402
flat angles C4'-P-C4' energy: -153.969
flat angles P-C4'-P energy: -90.559
tors. eta vs tors. theta energy: -209.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2100.073801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.073801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.073801 (E_RNA)
where:
Base-Base interactions energy: -1447.798
where: short stacking energy: -597.673
Base-Backbone interact. energy: -2.893
local terms energy: -649.383230
where:
bonds (distance) C4'-P energy: -141.080
bonds (distance) P-C4' energy: -129.420
flat angles C4'-P-C4' energy: -138.028
flat angles P-C4'-P energy: -67.242
tors. eta vs tors. theta energy: -173.614
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: 290
Temperature: 1.050000
Total energy: -2023.983457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.983457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.983457 (E_RNA)
where:
Base-Base interactions energy: -1382.227
where: short stacking energy: -619.027
Base-Backbone interact. energy: -3.899
local terms energy: -637.857812
where:
bonds (distance) C4'-P energy: -111.916
bonds (distance) P-C4' energy: -110.425
flat angles C4'-P-C4' energy: -139.487
flat angles P-C4'-P energy: -93.480
tors. eta vs tors. theta energy: -182.551
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: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1911.077550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.077550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.077550 (E_RNA)
where:
Base-Base interactions energy: -1324.353
where: short stacking energy: -520.608
Base-Backbone interact. energy: -1.541
local terms energy: -585.183207
where:
bonds (distance) C4'-P energy: -113.727
bonds (distance) P-C4' energy: -108.332
flat angles C4'-P-C4' energy: -124.070
flat angles P-C4'-P energy: -80.457
tors. eta vs tors. theta energy: -158.598
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: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1792.459585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.459585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.459585 (E_RNA)
where:
Base-Base interactions energy: -1178.680
where: short stacking energy: -537.046
Base-Backbone interact. energy: -0.458
local terms energy: -613.321657
where:
bonds (distance) C4'-P energy: -116.934
bonds (distance) P-C4' energy: -126.099
flat angles C4'-P-C4' energy: -128.046
flat angles P-C4'-P energy: -85.390
tors. eta vs tors. theta energy: -156.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1632.645902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.645902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.645902 (E_RNA)
where:
Base-Base interactions energy: -1118.947
where: short stacking energy: -482.446
Base-Backbone interact. energy: 1.991
local terms energy: -515.689734
where:
bonds (distance) C4'-P energy: -116.856
bonds (distance) P-C4' energy: -111.873
flat angles C4'-P-C4' energy: -113.689
flat angles P-C4'-P energy: -53.205
tors. eta vs tors. theta energy: -120.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1181.109975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.109975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.109975 (E_RNA)
where:
Base-Base interactions energy: -740.796
where: short stacking energy: -353.552
Base-Backbone interact. energy: -1.671
local terms energy: -438.643263
where:
bonds (distance) C4'-P energy: -108.740
bonds (distance) P-C4' energy: -109.398
flat angles C4'-P-C4' energy: -112.291
flat angles P-C4'-P energy: -45.487
tors. eta vs tors. theta energy: -62.728
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: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -983.512885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.512885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.512885 (E_RNA)
where:
Base-Base interactions energy: -581.835
where: short stacking energy: -307.078
Base-Backbone interact. energy: 6.811
local terms energy: -408.488949
where:
bonds (distance) C4'-P energy: -85.509
bonds (distance) P-C4' energy: -122.612
flat angles C4'-P-C4' energy: -98.372
flat angles P-C4'-P energy: -62.418
tors. eta vs tors. theta energy: -39.578
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: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -746.489164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.489164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.489164 (E_RNA)
where:
Base-Base interactions energy: -369.120
where: short stacking energy: -211.592
Base-Backbone interact. energy: 6.625
local terms energy: -383.994843
where:
bonds (distance) C4'-P energy: -99.538
bonds (distance) P-C4' energy: -127.869
flat angles C4'-P-C4' energy: -91.158
flat angles P-C4'-P energy: -53.750
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2295.596604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.596604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.596604 (E_RNA)
where:
Base-Base interactions energy: -1561.074
where: short stacking energy: -677.670
Base-Backbone interact. energy: -0.629
local terms energy: -733.893867
where:
bonds (distance) C4'-P energy: -131.199
bonds (distance) P-C4' energy: -142.394
flat angles C4'-P-C4' energy: -157.821
flat angles P-C4'-P energy: -95.321
tors. eta vs tors. theta energy: -207.159
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: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2237.788621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.788621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.788621 (E_RNA)
where:
Base-Base interactions energy: -1538.731
where: short stacking energy: -650.333
Base-Backbone interact. energy: -0.286
local terms energy: -698.771862
where:
bonds (distance) C4'-P energy: -113.865
bonds (distance) P-C4' energy: -134.058
flat angles C4'-P-C4' energy: -147.252
flat angles P-C4'-P energy: -102.806
tors. eta vs tors. theta energy: -200.792
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: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2098.064778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.064778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.064778 (E_RNA)
where:
Base-Base interactions energy: -1447.973
where: short stacking energy: -616.212
Base-Backbone interact. energy: -3.295
local terms energy: -646.796658
where:
bonds (distance) C4'-P energy: -122.760
bonds (distance) P-C4' energy: -123.448
flat angles C4'-P-C4' energy: -140.439
flat angles P-C4'-P energy: -89.810
tors. eta vs tors. theta energy: -170.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2033.388027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.388027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.388027 (E_RNA)
where:
Base-Base interactions energy: -1372.022
where: short stacking energy: -617.811
Base-Backbone interact. energy: -2.345
local terms energy: -659.020754
where:
bonds (distance) C4'-P energy: -118.048
bonds (distance) P-C4' energy: -123.281
flat angles C4'-P-C4' energy: -136.519
flat angles P-C4'-P energy: -87.498
tors. eta vs tors. theta energy: -193.674
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: 291
Temperature: 1.100000
Total energy: -1924.946171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.946171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.946171 (E_RNA)
where:
Base-Base interactions energy: -1321.746
where: short stacking energy: -546.435
Base-Backbone interact. energy: -1.526
local terms energy: -601.674299
where:
bonds (distance) C4'-P energy: -107.124
bonds (distance) P-C4' energy: -134.313
flat angles C4'-P-C4' energy: -132.582
flat angles P-C4'-P energy: -83.741
tors. eta vs tors. theta energy: -143.914
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: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1767.724444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.724444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.724444 (E_RNA)
where:
Base-Base interactions energy: -1181.673
where: short stacking energy: -519.132
Base-Backbone interact. energy: -2.000
local terms energy: -584.051190
where:
bonds (distance) C4'-P energy: -95.659
bonds (distance) P-C4' energy: -125.763
flat angles C4'-P-C4' energy: -124.925
flat angles P-C4'-P energy: -83.005
tors. eta vs tors. theta energy: -154.699
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: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1610.511120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.511120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.511120 (E_RNA)
where:
Base-Base interactions energy: -1061.998
where: short stacking energy: -458.028
Base-Backbone interact. energy: 0.099
local terms energy: -548.612189
where:
bonds (distance) C4'-P energy: -115.009
bonds (distance) P-C4' energy: -126.930
flat angles C4'-P-C4' energy: -115.723
flat angles P-C4'-P energy: -79.962
tors. eta vs tors. theta energy: -110.988
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: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1228.859298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.859298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.859298 (E_RNA)
where:
Base-Base interactions energy: -769.654
where: short stacking energy: -375.327
Base-Backbone interact. energy: 0.604
local terms energy: -459.809879
where:
bonds (distance) C4'-P energy: -103.602
bonds (distance) P-C4' energy: -120.871
flat angles C4'-P-C4' energy: -90.278
flat angles P-C4'-P energy: -65.827
tors. eta vs tors. theta energy: -79.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -884.435990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.435990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.435990 (E_RNA)
where:
Base-Base interactions energy: -503.220
where: short stacking energy: -227.979
Base-Backbone interact. energy: -0.183
local terms energy: -381.033132
where:
bonds (distance) C4'-P energy: -95.217
bonds (distance) P-C4' energy: -125.710
flat angles C4'-P-C4' energy: -93.551
flat angles P-C4'-P energy: -62.322
tors. eta vs tors. theta energy: -4.233
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: 291
Temperature: 1.350000
Total energy: -735.225710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.225710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.225710 (E_RNA)
where:
Base-Base interactions energy: -412.694
where: short stacking energy: -232.786
Base-Backbone interact. energy: 2.440
local terms energy: -324.971243
where:
bonds (distance) C4'-P energy: -94.774
bonds (distance) P-C4' energy: -108.210
flat angles C4'-P-C4' energy: -76.070
flat angles P-C4'-P energy: -49.333
tors. eta vs tors. theta energy: 3.415
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: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2337.639178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.639178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.639178 (E_RNA)
where:
Base-Base interactions energy: -1618.755
where: short stacking energy: -706.266
Base-Backbone interact. energy: -3.797
local terms energy: -715.087408
where:
bonds (distance) C4'-P energy: -118.122
bonds (distance) P-C4' energy: -128.069
flat angles C4'-P-C4' energy: -155.840
flat angles P-C4'-P energy: -110.481
tors. eta vs tors. theta energy: -202.574
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: 292
Temperature: 0.950000
Total energy: -2241.205969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.205969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.205969 (E_RNA)
where:
Base-Base interactions energy: -1505.520
where: short stacking energy: -667.615
Base-Backbone interact. energy: -2.111
local terms energy: -733.574748
where:
bonds (distance) C4'-P energy: -131.276
bonds (distance) P-C4' energy: -140.155
flat angles C4'-P-C4' energy: -159.196
flat angles P-C4'-P energy: -96.557
tors. eta vs tors. theta energy: -206.390
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: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2105.614440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.614440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.614440 (E_RNA)
where:
Base-Base interactions energy: -1470.843
where: short stacking energy: -621.047
Base-Backbone interact. energy: -4.424
local terms energy: -630.348327
where:
bonds (distance) C4'-P energy: -111.999
bonds (distance) P-C4' energy: -124.998
flat angles C4'-P-C4' energy: -124.969
flat angles P-C4'-P energy: -91.968
tors. eta vs tors. theta energy: -176.414
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: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2000.293004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.293004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.293004 (E_RNA)
where:
Base-Base interactions energy: -1349.147
where: short stacking energy: -590.951
Base-Backbone interact. energy: -1.108
local terms energy: -650.037498
where:
bonds (distance) C4'-P energy: -135.997
bonds (distance) P-C4' energy: -125.173
flat angles C4'-P-C4' energy: -145.653
flat angles P-C4'-P energy: -77.741
tors. eta vs tors. theta energy: -165.474
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: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1890.488429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.488429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.488429 (E_RNA)
where:
Base-Base interactions energy: -1310.816
where: short stacking energy: -524.989
Base-Backbone interact. energy: -1.751
local terms energy: -577.921122
where:
bonds (distance) C4'-P energy: -102.553
bonds (distance) P-C4' energy: -133.507
flat angles C4'-P-C4' energy: -127.209
flat angles P-C4'-P energy: -81.905
tors. eta vs tors. theta energy: -132.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1823.991651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.991651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.991651 (E_RNA)
where:
Base-Base interactions energy: -1246.249
where: short stacking energy: -543.126
Base-Backbone interact. energy: 0.366
local terms energy: -578.109022
where:
bonds (distance) C4'-P energy: -128.075
bonds (distance) P-C4' energy: -96.902
flat angles C4'-P-C4' energy: -114.400
flat angles P-C4'-P energy: -83.753
tors. eta vs tors. theta energy: -154.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1636.606526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.606526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.606526 (E_RNA)
where:
Base-Base interactions energy: -1089.655
where: short stacking energy: -475.569
Base-Backbone interact. energy: -0.429
local terms energy: -546.522198
where:
bonds (distance) C4'-P energy: -109.865
bonds (distance) P-C4' energy: -119.454
flat angles C4'-P-C4' energy: -119.789
flat angles P-C4'-P energy: -75.037
tors. eta vs tors. theta energy: -122.377
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: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1288.114532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.114532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.114532 (E_RNA)
where:
Base-Base interactions energy: -812.871
where: short stacking energy: -362.914
Base-Backbone interact. energy: -2.073
local terms energy: -473.170890
where:
bonds (distance) C4'-P energy: -102.255
bonds (distance) P-C4' energy: -122.148
flat angles C4'-P-C4' energy: -92.457
flat angles P-C4'-P energy: -73.415
tors. eta vs tors. theta energy: -82.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -965.320785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.320785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.320785 (E_RNA)
where:
Base-Base interactions energy: -534.107
where: short stacking energy: -261.426
Base-Backbone interact. energy: 3.365
local terms energy: -434.578854
where:
bonds (distance) C4'-P energy: -108.669
bonds (distance) P-C4' energy: -119.581
flat angles C4'-P-C4' energy: -122.453
flat angles P-C4'-P energy: -58.975
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -768.091679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.091679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.091679 (E_RNA)
where:
Base-Base interactions energy: -400.204
where: short stacking energy: -225.149
Base-Backbone interact. energy: 4.505
local terms energy: -372.393159
where:
bonds (distance) C4'-P energy: -115.627
bonds (distance) P-C4' energy: -98.753
flat angles C4'-P-C4' energy: -99.684
flat angles P-C4'-P energy: -53.162
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: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2325.307836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.307836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.307836 (E_RNA)
where:
Base-Base interactions energy: -1608.586
where: short stacking energy: -681.969
Base-Backbone interact. energy: -3.832
local terms energy: -712.890052
where:
bonds (distance) C4'-P energy: -131.284
bonds (distance) P-C4' energy: -137.806
flat angles C4'-P-C4' energy: -144.825
flat angles P-C4'-P energy: -100.210
tors. eta vs tors. theta energy: -198.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2214.090264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.090264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.090264 (E_RNA)
where:
Base-Base interactions energy: -1504.950
where: short stacking energy: -654.650
Base-Backbone interact. energy: 0.174
local terms energy: -709.313667
where:
bonds (distance) C4'-P energy: -122.637
bonds (distance) P-C4' energy: -127.193
flat angles C4'-P-C4' energy: -156.908
flat angles P-C4'-P energy: -102.089
tors. eta vs tors. theta energy: -200.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2113.874691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.874691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.874691 (E_RNA)
where:
Base-Base interactions energy: -1435.752
where: short stacking energy: -598.558
Base-Backbone interact. energy: -3.340
local terms energy: -674.783229
where:
bonds (distance) C4'-P energy: -133.447
bonds (distance) P-C4' energy: -120.078
flat angles C4'-P-C4' energy: -144.197
flat angles P-C4'-P energy: -94.492
tors. eta vs tors. theta energy: -182.570
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: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2041.240425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.240425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.240425 (E_RNA)
where:
Base-Base interactions energy: -1395.649
where: short stacking energy: -609.544
Base-Backbone interact. energy: -1.134
local terms energy: -644.457522
where:
bonds (distance) C4'-P energy: -116.243
bonds (distance) P-C4' energy: -125.599
flat angles C4'-P-C4' energy: -131.236
flat angles P-C4'-P energy: -101.637
tors. eta vs tors. theta energy: -169.743
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: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1881.766149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.766149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.766149 (E_RNA)
where:
Base-Base interactions energy: -1291.968
where: short stacking energy: -513.460
Base-Backbone interact. energy: -0.389
local terms energy: -589.409704
where:
bonds (distance) C4'-P energy: -118.066
bonds (distance) P-C4' energy: -125.480
flat angles C4'-P-C4' energy: -136.418
flat angles P-C4'-P energy: -79.143
tors. eta vs tors. theta energy: -130.303
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: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1749.587474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.587474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.587474 (E_RNA)
where:
Base-Base interactions energy: -1175.041
where: short stacking energy: -513.888
Base-Backbone interact. energy: 1.292
local terms energy: -575.838476
where:
bonds (distance) C4'-P energy: -109.515
bonds (distance) P-C4' energy: -126.724
flat angles C4'-P-C4' energy: -126.400
flat angles P-C4'-P energy: -69.271
tors. eta vs tors. theta energy: -143.928
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: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1654.685790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.685790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.685790 (E_RNA)
where:
Base-Base interactions energy: -1104.979
where: short stacking energy: -472.280
Base-Backbone interact. energy: -3.539
local terms energy: -546.167722
where:
bonds (distance) C4'-P energy: -118.834
bonds (distance) P-C4' energy: -104.820
flat angles C4'-P-C4' energy: -129.461
flat angles P-C4'-P energy: -68.032
tors. eta vs tors. theta energy: -125.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1234.739873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.739873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.739873 (E_RNA)
where:
Base-Base interactions energy: -768.323
where: short stacking energy: -345.275
Base-Backbone interact. energy: 1.900
local terms energy: -468.317354
where:
bonds (distance) C4'-P energy: -109.770
bonds (distance) P-C4' energy: -116.807
flat angles C4'-P-C4' energy: -117.060
flat angles P-C4'-P energy: -61.884
tors. eta vs tors. theta energy: -62.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -947.466589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.466589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.466589 (E_RNA)
where:
Base-Base interactions energy: -524.525
where: short stacking energy: -279.537
Base-Backbone interact. energy: 7.308
local terms energy: -430.249879
where:
bonds (distance) C4'-P energy: -120.146
bonds (distance) P-C4' energy: -106.194
flat angles C4'-P-C4' energy: -124.690
flat angles P-C4'-P energy: -56.007
tors. eta vs tors. theta energy: -23.213
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: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -761.811894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.811894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.811894 (E_RNA)
where:
Base-Base interactions energy: -414.440
where: short stacking energy: -222.855
Base-Backbone interact. energy: -2.630
local terms energy: -344.741720
where:
bonds (distance) C4'-P energy: -101.402
bonds (distance) P-C4' energy: -107.533
flat angles C4'-P-C4' energy: -73.273
flat angles P-C4'-P energy: -58.582
tors. eta vs tors. theta energy: -3.952
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: 1, replica: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2298.801231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.801231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.801231 (E_RNA)
where:
Base-Base interactions energy: -1583.657
where: short stacking energy: -681.058
Base-Backbone interact. energy: -4.039
local terms energy: -711.104832
where:
bonds (distance) C4'-P energy: -130.301
bonds (distance) P-C4' energy: -124.494
flat angles C4'-P-C4' energy: -140.511
flat angles P-C4'-P energy: -106.136
tors. eta vs tors. theta energy: -209.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2227.574198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.574198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.574198 (E_RNA)
where:
Base-Base interactions energy: -1514.621
where: short stacking energy: -673.514
Base-Backbone interact. energy: -2.094
local terms energy: -710.858634
where:
bonds (distance) C4'-P energy: -114.255
bonds (distance) P-C4' energy: -134.815
flat angles C4'-P-C4' energy: -152.723
flat angles P-C4'-P energy: -102.469
tors. eta vs tors. theta energy: -206.597
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: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2134.938163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.938163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.938163 (E_RNA)
where:
Base-Base interactions energy: -1466.753
where: short stacking energy: -634.308
Base-Backbone interact. energy: -4.478
local terms energy: -663.706872
where:
bonds (distance) C4'-P energy: -122.200
bonds (distance) P-C4' energy: -133.670
flat angles C4'-P-C4' energy: -148.858
flat angles P-C4'-P energy: -81.662
tors. eta vs tors. theta energy: -177.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2041.598863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.598863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.598863 (E_RNA)
where:
Base-Base interactions energy: -1369.409
where: short stacking energy: -593.164
Base-Backbone interact. energy: -1.799
local terms energy: -670.390247
where:
bonds (distance) C4'-P energy: -124.759
bonds (distance) P-C4' energy: -128.148
flat angles C4'-P-C4' energy: -147.888
flat angles P-C4'-P energy: -94.330
tors. eta vs tors. theta energy: -175.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1896.883028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.883028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.883028 (E_RNA)
where:
Base-Base interactions energy: -1288.490
where: short stacking energy: -556.072
Base-Backbone interact. energy: 4.203
local terms energy: -612.595920
where:
bonds (distance) C4'-P energy: -126.800
bonds (distance) P-C4' energy: -126.356
flat angles C4'-P-C4' energy: -128.320
flat angles P-C4'-P energy: -82.002
tors. eta vs tors. theta energy: -149.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1704.428136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.428136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.428136 (E_RNA)
where:
Base-Base interactions energy: -1127.461
where: short stacking energy: -503.216
Base-Backbone interact. energy: -3.462
local terms energy: -573.505068
where:
bonds (distance) C4'-P energy: -116.851
bonds (distance) P-C4' energy: -117.370
flat angles C4'-P-C4' energy: -126.126
flat angles P-C4'-P energy: -83.453
tors. eta vs tors. theta energy: -129.705
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: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1648.069987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.069987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.069987 (E_RNA)
where:
Base-Base interactions energy: -1112.038
where: short stacking energy: -502.379
Base-Backbone interact. energy: 2.463
local terms energy: -538.494726
where:
bonds (distance) C4'-P energy: -94.516
bonds (distance) P-C4' energy: -125.184
flat angles C4'-P-C4' energy: -126.967
flat angles P-C4'-P energy: -81.383
tors. eta vs tors. theta energy: -110.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1291.236560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.236560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.236560 (E_RNA)
where:
Base-Base interactions energy: -799.890
where: short stacking energy: -382.402
Base-Backbone interact. energy: -2.135
local terms energy: -489.211774
where:
bonds (distance) C4'-P energy: -116.960
bonds (distance) P-C4' energy: -107.441
flat angles C4'-P-C4' energy: -113.805
flat angles P-C4'-P energy: -70.633
tors. eta vs tors. theta energy: -80.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -893.921352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.921352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.921352 (E_RNA)
where:
Base-Base interactions energy: -480.774
where: short stacking energy: -256.448
Base-Backbone interact. energy: -0.083
local terms energy: -413.065127
where:
bonds (distance) C4'-P energy: -103.849
bonds (distance) P-C4' energy: -115.933
flat angles C4'-P-C4' energy: -110.402
flat angles P-C4'-P energy: -78.036
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -754.229404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.229404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.229404 (E_RNA)
where:
Base-Base interactions energy: -390.057
where: short stacking energy: -210.384
Base-Backbone interact. energy: -0.202
local terms energy: -363.969911
where:
bonds (distance) C4'-P energy: -106.775
bonds (distance) P-C4' energy: -116.002
flat angles C4'-P-C4' energy: -92.167
flat angles P-C4'-P energy: -50.282
tors. eta vs tors. theta energy: 1.256
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: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2307.416337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.416337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.416337 (E_RNA)
where:
Base-Base interactions energy: -1565.044
where: short stacking energy: -681.276
Base-Backbone interact. energy: 2.031
local terms energy: -744.403330
where:
bonds (distance) C4'-P energy: -131.967
bonds (distance) P-C4' energy: -137.416
flat angles C4'-P-C4' energy: -151.399
flat angles P-C4'-P energy: -112.475
tors. eta vs tors. theta energy: -211.145
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: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2223.235750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.235750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.235750 (E_RNA)
where:
Base-Base interactions energy: -1535.000
where: short stacking energy: -678.049
Base-Backbone interact. energy: -1.464
local terms energy: -686.772026
where:
bonds (distance) C4'-P energy: -132.937
bonds (distance) P-C4' energy: -112.589
flat angles C4'-P-C4' energy: -141.459
flat angles P-C4'-P energy: -101.279
tors. eta vs tors. theta energy: -198.507
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: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2135.061433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.061433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.061433 (E_RNA)
where:
Base-Base interactions energy: -1476.709
where: short stacking energy: -626.549
Base-Backbone interact. energy: 1.613
local terms energy: -659.965180
where:
bonds (distance) C4'-P energy: -122.693
bonds (distance) P-C4' energy: -126.862
flat angles C4'-P-C4' energy: -147.672
flat angles P-C4'-P energy: -90.346
tors. eta vs tors. theta energy: -172.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2000.556537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.556537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.556537 (E_RNA)
where:
Base-Base interactions energy: -1364.069
where: short stacking energy: -596.127
Base-Backbone interact. energy: -2.712
local terms energy: -633.775963
where:
bonds (distance) C4'-P energy: -126.185
bonds (distance) P-C4' energy: -130.546
flat angles C4'-P-C4' energy: -126.444
flat angles P-C4'-P energy: -86.485
tors. eta vs tors. theta energy: -164.116
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: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1933.758694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.758694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.758694 (E_RNA)
where:
Base-Base interactions energy: -1321.948
where: short stacking energy: -568.267
Base-Backbone interact. energy: -3.462
local terms energy: -608.348553
where:
bonds (distance) C4'-P energy: -109.327
bonds (distance) P-C4' energy: -123.123
flat angles C4'-P-C4' energy: -144.933
flat angles P-C4'-P energy: -68.050
tors. eta vs tors. theta energy: -162.916
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: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1700.677455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.677455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.677455 (E_RNA)
where:
Base-Base interactions energy: -1160.845
where: short stacking energy: -500.422
Base-Backbone interact. energy: -3.060
local terms energy: -536.772381
where:
bonds (distance) C4'-P energy: -127.395
bonds (distance) P-C4' energy: -116.588
flat angles C4'-P-C4' energy: -99.459
flat angles P-C4'-P energy: -67.504
tors. eta vs tors. theta energy: -125.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1654.253262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.253262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.253262 (E_RNA)
where:
Base-Base interactions energy: -1125.657
where: short stacking energy: -495.389
Base-Backbone interact. energy: -1.822
local terms energy: -526.775124
where:
bonds (distance) C4'-P energy: -86.442
bonds (distance) P-C4' energy: -121.823
flat angles C4'-P-C4' energy: -119.511
flat angles P-C4'-P energy: -79.464
tors. eta vs tors. theta energy: -119.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1278.475824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.475824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.475824 (E_RNA)
where:
Base-Base interactions energy: -793.866
where: short stacking energy: -361.824
Base-Backbone interact. energy: 2.314
local terms energy: -486.923998
where:
bonds (distance) C4'-P energy: -108.475
bonds (distance) P-C4' energy: -126.890
flat angles C4'-P-C4' energy: -118.528
flat angles P-C4'-P energy: -82.697
tors. eta vs tors. theta energy: -50.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -875.649164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.649164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.649164 (E_RNA)
where:
Base-Base interactions energy: -479.717
where: short stacking energy: -279.410
Base-Backbone interact. energy: -0.720
local terms energy: -395.212513
where:
bonds (distance) C4'-P energy: -84.071
bonds (distance) P-C4' energy: -111.421
flat angles C4'-P-C4' energy: -96.458
flat angles P-C4'-P energy: -70.434
tors. eta vs tors. theta energy: -32.829
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: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -753.666314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.666314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.666314 (E_RNA)
where:
Base-Base interactions energy: -415.135
where: short stacking energy: -218.554
Base-Backbone interact. energy: -1.855
local terms energy: -336.677031
where:
bonds (distance) C4'-P energy: -104.371
bonds (distance) P-C4' energy: -104.368
flat angles C4'-P-C4' energy: -88.417
flat angles P-C4'-P energy: -50.046
tors. eta vs tors. theta energy: 10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2325.552467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.552467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.552467 (E_RNA)
where:
Base-Base interactions energy: -1589.534
where: short stacking energy: -716.401
Base-Backbone interact. energy: -1.197
local terms energy: -734.821181
where:
bonds (distance) C4'-P energy: -128.102
bonds (distance) P-C4' energy: -145.888
flat angles C4'-P-C4' energy: -161.604
flat angles P-C4'-P energy: -89.107
tors. eta vs tors. theta energy: -210.119
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: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2234.351987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.351987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.351987 (E_RNA)
where:
Base-Base interactions energy: -1527.568
where: short stacking energy: -670.581
Base-Backbone interact. energy: 0.217
local terms energy: -707.000934
where:
bonds (distance) C4'-P energy: -125.394
bonds (distance) P-C4' energy: -130.622
flat angles C4'-P-C4' energy: -152.772
flat angles P-C4'-P energy: -95.684
tors. eta vs tors. theta energy: -202.529
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: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2068.305809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.305809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.305809 (E_RNA)
where:
Base-Base interactions energy: -1424.164
where: short stacking energy: -598.513
Base-Backbone interact. energy: -4.014
local terms energy: -640.128036
where:
bonds (distance) C4'-P energy: -126.706
bonds (distance) P-C4' energy: -143.155
flat angles C4'-P-C4' energy: -121.075
flat angles P-C4'-P energy: -91.603
tors. eta vs tors. theta energy: -157.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2010.144724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.144724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.144724 (E_RNA)
where:
Base-Base interactions energy: -1366.770
where: short stacking energy: -596.294
Base-Backbone interact. energy: -1.051
local terms energy: -642.323519
where:
bonds (distance) C4'-P energy: -115.239
bonds (distance) P-C4' energy: -125.031
flat angles C4'-P-C4' energy: -137.590
flat angles P-C4'-P energy: -91.503
tors. eta vs tors. theta energy: -172.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1899.912623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.912623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.912623 (E_RNA)
where:
Base-Base interactions energy: -1287.552
where: short stacking energy: -535.206
Base-Backbone interact. energy: -0.788
local terms energy: -611.572764
where:
bonds (distance) C4'-P energy: -116.024
bonds (distance) P-C4' energy: -111.790
flat angles C4'-P-C4' energy: -144.301
flat angles P-C4'-P energy: -89.207
tors. eta vs tors. theta energy: -150.251
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: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1713.574159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.574159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.574159 (E_RNA)
where:
Base-Base interactions energy: -1129.188
where: short stacking energy: -501.692
Base-Backbone interact. energy: 1.538
local terms energy: -585.924618
where:
bonds (distance) C4'-P energy: -106.128
bonds (distance) P-C4' energy: -137.108
flat angles C4'-P-C4' energy: -132.416
flat angles P-C4'-P energy: -77.444
tors. eta vs tors. theta energy: -132.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1626.318648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.318648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.318648 (E_RNA)
where:
Base-Base interactions energy: -1102.582
where: short stacking energy: -507.761
Base-Backbone interact. energy: 0.074
local terms energy: -523.810521
where:
bonds (distance) C4'-P energy: -100.914
bonds (distance) P-C4' energy: -114.275
flat angles C4'-P-C4' energy: -122.255
flat angles P-C4'-P energy: -59.458
tors. eta vs tors. theta energy: -126.908
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: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1257.993198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.993198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.993198 (E_RNA)
where:
Base-Base interactions energy: -743.352
where: short stacking energy: -345.405
Base-Backbone interact. energy: 1.869
local terms energy: -516.510073
where:
bonds (distance) C4'-P energy: -120.780
bonds (distance) P-C4' energy: -117.423
flat angles C4'-P-C4' energy: -123.137
flat angles P-C4'-P energy: -88.753
tors. eta vs tors. theta energy: -66.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -891.039051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.039051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.039051 (E_RNA)
where:
Base-Base interactions energy: -491.723
where: short stacking energy: -252.937
Base-Backbone interact. energy: -2.371
local terms energy: -396.945107
where:
bonds (distance) C4'-P energy: -109.978
bonds (distance) P-C4' energy: -125.932
flat angles C4'-P-C4' energy: -79.088
flat angles P-C4'-P energy: -68.169
tors. eta vs tors. theta energy: -13.779
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: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -755.307677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.307677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.307677 (E_RNA)
where:
Base-Base interactions energy: -380.744
where: short stacking energy: -216.897
Base-Backbone interact. energy: 2.304
local terms energy: -376.868210
where:
bonds (distance) C4'-P energy: -113.720
bonds (distance) P-C4' energy: -111.003
flat angles C4'-P-C4' energy: -90.407
flat angles P-C4'-P energy: -47.101
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2300.359324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.359324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.359324 (E_RNA)
where:
Base-Base interactions energy: -1569.091
where: short stacking energy: -692.144
Base-Backbone interact. energy: -1.939
local terms energy: -729.329246
where:
bonds (distance) C4'-P energy: -140.562
bonds (distance) P-C4' energy: -135.918
flat angles C4'-P-C4' energy: -151.058
flat angles P-C4'-P energy: -96.556
tors. eta vs tors. theta energy: -205.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2233.364274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.364274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.364274 (E_RNA)
where:
Base-Base interactions energy: -1533.737
where: short stacking energy: -653.380
Base-Backbone interact. energy: 2.592
local terms energy: -702.219158
where:
bonds (distance) C4'-P energy: -123.192
bonds (distance) P-C4' energy: -122.222
flat angles C4'-P-C4' energy: -148.467
flat angles P-C4'-P energy: -103.765
tors. eta vs tors. theta energy: -204.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2138.699471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.699471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.699471 (E_RNA)
where:
Base-Base interactions energy: -1471.588
where: short stacking energy: -637.631
Base-Backbone interact. energy: -3.362
local terms energy: -663.749291
where:
bonds (distance) C4'-P energy: -115.143
bonds (distance) P-C4' energy: -132.962
flat angles C4'-P-C4' energy: -145.190
flat angles P-C4'-P energy: -99.812
tors. eta vs tors. theta energy: -170.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2037.266377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.266377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.266377 (E_RNA)
where:
Base-Base interactions energy: -1402.694
where: short stacking energy: -614.114
Base-Backbone interact. energy: 2.317
local terms energy: -636.889152
where:
bonds (distance) C4'-P energy: -109.817
bonds (distance) P-C4' energy: -123.248
flat angles C4'-P-C4' energy: -129.356
flat angles P-C4'-P energy: -100.366
tors. eta vs tors. theta energy: -174.102
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: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1873.725679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.725679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.725679 (E_RNA)
where:
Base-Base interactions energy: -1278.059
where: short stacking energy: -547.177
Base-Backbone interact. energy: 1.355
local terms energy: -597.022337
where:
bonds (distance) C4'-P energy: -124.262
bonds (distance) P-C4' energy: -129.864
flat angles C4'-P-C4' energy: -129.224
flat angles P-C4'-P energy: -69.210
tors. eta vs tors. theta energy: -144.463
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: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1717.063069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.063069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.063069 (E_RNA)
where:
Base-Base interactions energy: -1133.265
where: short stacking energy: -492.887
Base-Backbone interact. energy: 1.854
local terms energy: -585.651582
where:
bonds (distance) C4'-P energy: -117.103
bonds (distance) P-C4' energy: -124.173
flat angles C4'-P-C4' energy: -132.200
flat angles P-C4'-P energy: -86.845
tors. eta vs tors. theta energy: -125.331
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: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1647.376639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.376639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.376639 (E_RNA)
where:
Base-Base interactions energy: -1102.230
where: short stacking energy: -489.761
Base-Backbone interact. energy: -1.836
local terms energy: -543.310782
where:
bonds (distance) C4'-P energy: -107.115
bonds (distance) P-C4' energy: -105.775
flat angles C4'-P-C4' energy: -116.107
flat angles P-C4'-P energy: -90.859
tors. eta vs tors. theta energy: -123.455
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: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1287.271984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.271984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.271984 (E_RNA)
where:
Base-Base interactions energy: -793.406
where: short stacking energy: -373.176
Base-Backbone interact. energy: -2.003
local terms energy: -491.863897
where:
bonds (distance) C4'-P energy: -110.120
bonds (distance) P-C4' energy: -116.024
flat angles C4'-P-C4' energy: -112.616
flat angles P-C4'-P energy: -74.241
tors. eta vs tors. theta energy: -78.863
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: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -899.467214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.467214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.467214 (E_RNA)
where:
Base-Base interactions energy: -527.603
where: short stacking energy: -273.635
Base-Backbone interact. energy: 1.605
local terms energy: -373.469578
where:
bonds (distance) C4'-P energy: -104.940
bonds (distance) P-C4' energy: -102.240
flat angles C4'-P-C4' energy: -92.371
flat angles P-C4'-P energy: -56.235
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -779.969415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.969415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.969415 (E_RNA)
where:
Base-Base interactions energy: -438.218
where: short stacking energy: -207.189
Base-Backbone interact. energy: 0.888
local terms energy: -342.639747
where:
bonds (distance) C4'-P energy: -101.380
bonds (distance) P-C4' energy: -117.504
flat angles C4'-P-C4' energy: -81.514
flat angles P-C4'-P energy: -48.717
tors. eta vs tors. theta energy: 6.475
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: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2313.492818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.492818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.492818 (E_RNA)
where:
Base-Base interactions energy: -1572.032
where: short stacking energy: -683.344
Base-Backbone interact. energy: -5.844
local terms energy: -735.616779
where:
bonds (distance) C4'-P energy: -126.346
bonds (distance) P-C4' energy: -132.157
flat angles C4'-P-C4' energy: -158.064
flat angles P-C4'-P energy: -107.597
tors. eta vs tors. theta energy: -211.454
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: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2234.384503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.384503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.384503 (E_RNA)
where:
Base-Base interactions energy: -1518.140
where: short stacking energy: -685.656
Base-Backbone interact. energy: -2.196
local terms energy: -714.049334
where:
bonds (distance) C4'-P energy: -133.237
bonds (distance) P-C4' energy: -131.364
flat angles C4'-P-C4' energy: -144.186
flat angles P-C4'-P energy: -99.429
tors. eta vs tors. theta energy: -205.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2140.850728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.850728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.850728 (E_RNA)
where:
Base-Base interactions energy: -1479.640
where: short stacking energy: -649.503
Base-Backbone interact. energy: -4.116
local terms energy: -657.094303
where:
bonds (distance) C4'-P energy: -113.074
bonds (distance) P-C4' energy: -121.932
flat angles C4'-P-C4' energy: -148.786
flat angles P-C4'-P energy: -94.522
tors. eta vs tors. theta energy: -178.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1984.141892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.141892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.141892 (E_RNA)
where:
Base-Base interactions energy: -1336.546
where: short stacking energy: -617.183
Base-Backbone interact. energy: -0.951
local terms energy: -646.645630
where:
bonds (distance) C4'-P energy: -124.148
bonds (distance) P-C4' energy: -128.761
flat angles C4'-P-C4' energy: -136.551
flat angles P-C4'-P energy: -87.433
tors. eta vs tors. theta energy: -169.753
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: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1899.103410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.103410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.103410 (E_RNA)
where:
Base-Base interactions energy: -1327.722
where: short stacking energy: -549.316
Base-Backbone interact. energy: -1.905
local terms energy: -569.475478
where:
bonds (distance) C4'-P energy: -107.485
bonds (distance) P-C4' energy: -110.818
flat angles C4'-P-C4' energy: -129.886
flat angles P-C4'-P energy: -85.278
tors. eta vs tors. theta energy: -136.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1679.867249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.867249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.867249 (E_RNA)
where:
Base-Base interactions energy: -1154.073
where: short stacking energy: -494.633
Base-Backbone interact. energy: -1.121
local terms energy: -524.673851
where:
bonds (distance) C4'-P energy: -100.949
bonds (distance) P-C4' energy: -100.162
flat angles C4'-P-C4' energy: -130.093
flat angles P-C4'-P energy: -80.636
tors. eta vs tors. theta energy: -112.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1657.594078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.594078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.594078 (E_RNA)
where:
Base-Base interactions energy: -1092.273
where: short stacking energy: -498.944
Base-Backbone interact. energy: -0.541
local terms energy: -564.779162
where:
bonds (distance) C4'-P energy: -110.890
bonds (distance) P-C4' energy: -111.176
flat angles C4'-P-C4' energy: -137.972
flat angles P-C4'-P energy: -71.883
tors. eta vs tors. theta energy: -132.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1269.338905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.338905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.338905 (E_RNA)
where:
Base-Base interactions energy: -763.172
where: short stacking energy: -356.072
Base-Backbone interact. energy: 1.690
local terms energy: -507.856871
where:
bonds (distance) C4'-P energy: -111.564
bonds (distance) P-C4' energy: -119.462
flat angles C4'-P-C4' energy: -118.880
flat angles P-C4'-P energy: -67.441
tors. eta vs tors. theta energy: -90.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -920.594488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.594488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.594488 (E_RNA)
where:
Base-Base interactions energy: -510.054
where: short stacking energy: -238.624
Base-Backbone interact. energy: 1.135
local terms energy: -411.675825
where:
bonds (distance) C4'-P energy: -103.942
bonds (distance) P-C4' energy: -119.498
flat angles C4'-P-C4' energy: -112.043
flat angles P-C4'-P energy: -56.382
tors. eta vs tors. theta energy: -19.811
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: 298
Temperature: 1.350000
Total energy: -753.635177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.635177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.635177 (E_RNA)
where:
Base-Base interactions energy: -399.135
where: short stacking energy: -220.870
Base-Backbone interact. energy: 1.130
local terms energy: -355.629851
where:
bonds (distance) C4'-P energy: -99.933
bonds (distance) P-C4' energy: -110.610
flat angles C4'-P-C4' energy: -92.828
flat angles P-C4'-P energy: -49.439
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2301.406537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.406537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.406537 (E_RNA)
where:
Base-Base interactions energy: -1576.774
where: short stacking energy: -666.109
Base-Backbone interact. energy: 0.769
local terms energy: -725.402280
where:
bonds (distance) C4'-P energy: -126.333
bonds (distance) P-C4' energy: -131.418
flat angles C4'-P-C4' energy: -147.881
flat angles P-C4'-P energy: -110.575
tors. eta vs tors. theta energy: -209.195
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: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2240.927960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.927960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.927960 (E_RNA)
where:
Base-Base interactions energy: -1502.514
where: short stacking energy: -680.298
Base-Backbone interact. energy: -1.598
local terms energy: -736.816108
where:
bonds (distance) C4'-P energy: -130.753
bonds (distance) P-C4' energy: -137.197
flat angles C4'-P-C4' energy: -157.677
flat angles P-C4'-P energy: -106.372
tors. eta vs tors. theta energy: -204.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2107.564698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.564698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.564698 (E_RNA)
where:
Base-Base interactions energy: -1445.960
where: short stacking energy: -604.880
Base-Backbone interact. energy: -0.149
local terms energy: -661.455466
where:
bonds (distance) C4'-P energy: -122.455
bonds (distance) P-C4' energy: -127.323
flat angles C4'-P-C4' energy: -142.815
flat angles P-C4'-P energy: -96.398
tors. eta vs tors. theta energy: -172.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1943.080610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.080610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.080610 (E_RNA)
where:
Base-Base interactions energy: -1283.592
where: short stacking energy: -571.830
Base-Backbone interact. energy: -1.898
local terms energy: -657.591242
where:
bonds (distance) C4'-P energy: -108.912
bonds (distance) P-C4' energy: -140.513
flat angles C4'-P-C4' energy: -141.025
flat angles P-C4'-P energy: -88.884
tors. eta vs tors. theta energy: -178.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1913.918121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.918121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.918121 (E_RNA)
where:
Base-Base interactions energy: -1321.541
where: short stacking energy: -549.920
Base-Backbone interact. energy: -0.545
local terms energy: -591.832024
where:
bonds (distance) C4'-P energy: -113.014
bonds (distance) P-C4' energy: -107.232
flat angles C4'-P-C4' energy: -138.476
flat angles P-C4'-P energy: -73.315
tors. eta vs tors. theta energy: -159.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1670.952781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.952781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.952781 (E_RNA)
where:
Base-Base interactions energy: -1101.564
where: short stacking energy: -493.805
Base-Backbone interact. energy: 0.159
local terms energy: -569.547533
where:
bonds (distance) C4'-P energy: -111.729
bonds (distance) P-C4' energy: -123.539
flat angles C4'-P-C4' energy: -128.765
flat angles P-C4'-P energy: -79.759
tors. eta vs tors. theta energy: -125.755
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: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1613.998212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.998212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.998212 (E_RNA)
where:
Base-Base interactions energy: -1054.520
where: short stacking energy: -470.308
Base-Backbone interact. energy: -1.664
local terms energy: -557.814194
where:
bonds (distance) C4'-P energy: -107.983
bonds (distance) P-C4' energy: -118.200
flat angles C4'-P-C4' energy: -118.473
flat angles P-C4'-P energy: -74.065
tors. eta vs tors. theta energy: -139.093
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: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1283.042213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.042213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.042213 (E_RNA)
where:
Base-Base interactions energy: -816.955
where: short stacking energy: -399.587
Base-Backbone interact. energy: 6.468
local terms energy: -472.554863
where:
bonds (distance) C4'-P energy: -104.413
bonds (distance) P-C4' energy: -117.227
flat angles C4'-P-C4' energy: -99.075
flat angles P-C4'-P energy: -63.028
tors. eta vs tors. theta energy: -88.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -865.958269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.958269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.958269 (E_RNA)
where:
Base-Base interactions energy: -484.610
where: short stacking energy: -268.191
Base-Backbone interact. energy: -3.195
local terms energy: -378.153355
where:
bonds (distance) C4'-P energy: -82.614
bonds (distance) P-C4' energy: -104.661
flat angles C4'-P-C4' energy: -103.296
flat angles P-C4'-P energy: -65.750
tors. eta vs tors. theta energy: -21.833
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: 299
Temperature: 1.350000
Total energy: -747.153267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.153267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.153267 (E_RNA)
where:
Base-Base interactions energy: -400.282
where: short stacking energy: -219.189
Base-Backbone interact. energy: 8.503
local terms energy: -355.373726
where:
bonds (distance) C4'-P energy: -108.023
bonds (distance) P-C4' energy: -101.991
flat angles C4'-P-C4' energy: -92.202
flat angles P-C4'-P energy: -39.860
tors. eta vs tors. theta energy: -13.298
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: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2325.244232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.244232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.244232 (E_RNA)
where:
Base-Base interactions energy: -1574.182
where: short stacking energy: -698.018
Base-Backbone interact. energy: -2.298
local terms energy: -748.764170
where:
bonds (distance) C4'-P energy: -136.472
bonds (distance) P-C4' energy: -133.684
flat angles C4'-P-C4' energy: -161.956
flat angles P-C4'-P energy: -107.412
tors. eta vs tors. theta energy: -209.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2260.539602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.539602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.539602 (E_RNA)
where:
Base-Base interactions energy: -1563.154
where: short stacking energy: -695.188
Base-Backbone interact. energy: 1.877
local terms energy: -699.262371
where:
bonds (distance) C4'-P energy: -127.513
bonds (distance) P-C4' energy: -113.134
flat angles C4'-P-C4' energy: -149.595
flat angles P-C4'-P energy: -97.282
tors. eta vs tors. theta energy: -211.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2086.301747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.301747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.301747 (E_RNA)
where:
Base-Base interactions energy: -1457.353
where: short stacking energy: -592.663
Base-Backbone interact. energy: -3.115
local terms energy: -625.833795
where:
bonds (distance) C4'-P energy: -120.094
bonds (distance) P-C4' energy: -122.178
flat angles C4'-P-C4' energy: -144.445
flat angles P-C4'-P energy: -91.007
tors. eta vs tors. theta energy: -148.109
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: 300
Temperature: 1.050000
Total energy: -1950.025890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.025890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.025890 (E_RNA)
where:
Base-Base interactions energy: -1322.666
where: short stacking energy: -615.158
Base-Backbone interact. energy: -0.599
local terms energy: -626.761087
where:
bonds (distance) C4'-P energy: -111.420
bonds (distance) P-C4' energy: -131.778
flat angles C4'-P-C4' energy: -129.066
flat angles P-C4'-P energy: -77.792
tors. eta vs tors. theta energy: -176.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1942.979548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.979548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.979548 (E_RNA)
where:
Base-Base interactions energy: -1334.674
where: short stacking energy: -568.396
Base-Backbone interact. energy: 0.362
local terms energy: -608.667467
where:
bonds (distance) C4'-P energy: -106.849
bonds (distance) P-C4' energy: -135.811
flat angles C4'-P-C4' energy: -128.366
flat angles P-C4'-P energy: -82.351
tors. eta vs tors. theta energy: -155.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1687.184206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.184206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.184206 (E_RNA)
where:
Base-Base interactions energy: -1129.677
where: short stacking energy: -479.160
Base-Backbone interact. energy: -0.694
local terms energy: -556.813454
where:
bonds (distance) C4'-P energy: -100.798
bonds (distance) P-C4' energy: -109.607
flat angles C4'-P-C4' energy: -132.348
flat angles P-C4'-P energy: -83.475
tors. eta vs tors. theta energy: -130.586
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: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1586.374073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.374073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.374073 (E_RNA)
where:
Base-Base interactions energy: -1005.644
where: short stacking energy: -453.357
Base-Backbone interact. energy: 1.384
local terms energy: -582.113590
where:
bonds (distance) C4'-P energy: -103.131
bonds (distance) P-C4' energy: -126.168
flat angles C4'-P-C4' energy: -141.577
flat angles P-C4'-P energy: -94.991
tors. eta vs tors. theta energy: -116.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1301.939248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.939248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.939248 (E_RNA)
where:
Base-Base interactions energy: -807.048
where: short stacking energy: -375.581
Base-Backbone interact. energy: -1.107
local terms energy: -493.784173
where:
bonds (distance) C4'-P energy: -103.350
bonds (distance) P-C4' energy: -116.887
flat angles C4'-P-C4' energy: -120.325
flat angles P-C4'-P energy: -67.988
tors. eta vs tors. theta energy: -85.235
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: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -890.658881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.658881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.658881 (E_RNA)
where:
Base-Base interactions energy: -477.544
where: short stacking energy: -253.891
Base-Backbone interact. energy: 3.948
local terms energy: -417.062025
where:
bonds (distance) C4'-P energy: -118.141
bonds (distance) P-C4' energy: -111.985
flat angles C4'-P-C4' energy: -100.395
flat angles P-C4'-P energy: -66.270
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -715.904535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.904535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.904535 (E_RNA)
where:
Base-Base interactions energy: -338.000
where: short stacking energy: -207.803
Base-Backbone interact. energy: -1.469
local terms energy: -376.435671
where:
bonds (distance) C4'-P energy: -116.123
bonds (distance) P-C4' energy: -128.675
flat angles C4'-P-C4' energy: -75.348
flat angles P-C4'-P energy: -47.784
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2303.917647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.917647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.917647 (E_RNA)
where:
Base-Base interactions energy: -1594.647
where: short stacking energy: -700.308
Base-Backbone interact. energy: 0.152
local terms energy: -709.422851
where:
bonds (distance) C4'-P energy: -116.561
bonds (distance) P-C4' energy: -135.065
flat angles C4'-P-C4' energy: -150.346
flat angles P-C4'-P energy: -102.664
tors. eta vs tors. theta energy: -204.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2242.756239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.756239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.756239 (E_RNA)
where:
Base-Base interactions energy: -1539.936
where: short stacking energy: -679.894
Base-Backbone interact. energy: -2.962
local terms energy: -699.857955
where:
bonds (distance) C4'-P energy: -120.927
bonds (distance) P-C4' energy: -139.320
flat angles C4'-P-C4' energy: -132.629
flat angles P-C4'-P energy: -107.027
tors. eta vs tors. theta energy: -199.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2085.328909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.328909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.328909 (E_RNA)
where:
Base-Base interactions energy: -1432.111
where: short stacking energy: -608.797
Base-Backbone interact. energy: -3.076
local terms energy: -650.141448
where:
bonds (distance) C4'-P energy: -110.188
bonds (distance) P-C4' energy: -133.751
flat angles C4'-P-C4' energy: -145.886
flat angles P-C4'-P energy: -92.026
tors. eta vs tors. theta energy: -168.291
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: 301
Temperature: 1.050000
Total energy: -1979.992419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.992419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.992419 (E_RNA)
where:
Base-Base interactions energy: -1348.029
where: short stacking energy: -601.936
Base-Backbone interact. energy: -3.987
local terms energy: -627.976520
where:
bonds (distance) C4'-P energy: -118.280
bonds (distance) P-C4' energy: -104.658
flat angles C4'-P-C4' energy: -149.427
flat angles P-C4'-P energy: -91.063
tors. eta vs tors. theta energy: -164.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1930.663875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.663875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.663875 (E_RNA)
where:
Base-Base interactions energy: -1316.490
where: short stacking energy: -562.644
Base-Backbone interact. energy: -2.842
local terms energy: -611.332129
where:
bonds (distance) C4'-P energy: -107.301
bonds (distance) P-C4' energy: -126.279
flat angles C4'-P-C4' energy: -132.756
flat angles P-C4'-P energy: -86.208
tors. eta vs tors. theta energy: -158.789
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: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1776.399129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.399129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.399129 (E_RNA)
where:
Base-Base interactions energy: -1210.587
where: short stacking energy: -521.247
Base-Backbone interact. energy: -2.046
local terms energy: -563.765642
where:
bonds (distance) C4'-P energy: -103.138
bonds (distance) P-C4' energy: -108.832
flat angles C4'-P-C4' energy: -131.038
flat angles P-C4'-P energy: -79.697
tors. eta vs tors. theta energy: -141.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1535.884976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.884976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.884976 (E_RNA)
where:
Base-Base interactions energy: -987.577
where: short stacking energy: -449.236
Base-Backbone interact. energy: -1.990
local terms energy: -546.317389
where:
bonds (distance) C4'-P energy: -105.533
bonds (distance) P-C4' energy: -120.896
flat angles C4'-P-C4' energy: -121.704
flat angles P-C4'-P energy: -80.849
tors. eta vs tors. theta energy: -117.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1315.816173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.816173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.816173 (E_RNA)
where:
Base-Base interactions energy: -840.568
where: short stacking energy: -364.475
Base-Backbone interact. energy: -1.140
local terms energy: -474.108098
where:
bonds (distance) C4'-P energy: -98.739
bonds (distance) P-C4' energy: -129.621
flat angles C4'-P-C4' energy: -90.277
flat angles P-C4'-P energy: -84.540
tors. eta vs tors. theta energy: -70.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -901.696317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.696317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.696317 (E_RNA)
where:
Base-Base interactions energy: -523.294
where: short stacking energy: -273.585
Base-Backbone interact. energy: 7.678
local terms energy: -386.080732
where:
bonds (distance) C4'-P energy: -86.496
bonds (distance) P-C4' energy: -122.048
flat angles C4'-P-C4' energy: -110.116
flat angles P-C4'-P energy: -45.611
tors. eta vs tors. theta energy: -21.811
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: 301
Temperature: 1.350000
Total energy: -709.771618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.771618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.771618 (E_RNA)
where:
Base-Base interactions energy: -336.870
where: short stacking energy: -209.013
Base-Backbone interact. energy: 0.483
local terms energy: -373.385011
where:
bonds (distance) C4'-P energy: -121.102
bonds (distance) P-C4' energy: -114.255
flat angles C4'-P-C4' energy: -98.630
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: 3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2278.682664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.682664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.682664 (E_RNA)
where:
Base-Base interactions energy: -1587.372
where: short stacking energy: -695.376
Base-Backbone interact. energy: 0.079
local terms energy: -691.389496
where:
bonds (distance) C4'-P energy: -127.339
bonds (distance) P-C4' energy: -116.845
flat angles C4'-P-C4' energy: -151.597
flat angles P-C4'-P energy: -101.504
tors. eta vs tors. theta energy: -194.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2215.963512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.963512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.963512 (E_RNA)
where:
Base-Base interactions energy: -1510.307
where: short stacking energy: -638.917
Base-Backbone interact. energy: 1.313
local terms energy: -706.969259
where:
bonds (distance) C4'-P energy: -135.910
bonds (distance) P-C4' energy: -131.570
flat angles C4'-P-C4' energy: -144.432
flat angles P-C4'-P energy: -95.026
tors. eta vs tors. theta energy: -200.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2084.098441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.098441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.098441 (E_RNA)
where:
Base-Base interactions energy: -1434.305
where: short stacking energy: -601.079
Base-Backbone interact. energy: -0.750
local terms energy: -649.043165
where:
bonds (distance) C4'-P energy: -119.114
bonds (distance) P-C4' energy: -125.656
flat angles C4'-P-C4' energy: -151.625
flat angles P-C4'-P energy: -96.060
tors. eta vs tors. theta energy: -156.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2005.184303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.184303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.184303 (E_RNA)
where:
Base-Base interactions energy: -1338.003
where: short stacking energy: -625.042
Base-Backbone interact. energy: 2.188
local terms energy: -669.368872
where:
bonds (distance) C4'-P energy: -125.632
bonds (distance) P-C4' energy: -123.698
flat angles C4'-P-C4' energy: -142.963
flat angles P-C4'-P energy: -89.806
tors. eta vs tors. theta energy: -187.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1862.570954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.570954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.570954 (E_RNA)
where:
Base-Base interactions energy: -1262.395
where: short stacking energy: -513.444
Base-Backbone interact. energy: 5.068
local terms energy: -605.244561
where:
bonds (distance) C4'-P energy: -121.111
bonds (distance) P-C4' energy: -125.815
flat angles C4'-P-C4' energy: -131.567
flat angles P-C4'-P energy: -81.659
tors. eta vs tors. theta energy: -145.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1778.256366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.256366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.256366 (E_RNA)
where:
Base-Base interactions energy: -1187.166
where: short stacking energy: -520.656
Base-Backbone interact. energy: -1.267
local terms energy: -589.823053
where:
bonds (distance) C4'-P energy: -126.460
bonds (distance) P-C4' energy: -107.316
flat angles C4'-P-C4' energy: -130.479
flat angles P-C4'-P energy: -75.602
tors. eta vs tors. theta energy: -149.966
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: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1561.515846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.515846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.515846 (E_RNA)
where:
Base-Base interactions energy: -1028.437
where: short stacking energy: -469.250
Base-Backbone interact. energy: -3.266
local terms energy: -529.812985
where:
bonds (distance) C4'-P energy: -117.433
bonds (distance) P-C4' energy: -107.974
flat angles C4'-P-C4' energy: -129.092
flat angles P-C4'-P energy: -63.980
tors. eta vs tors. theta energy: -111.334
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: 302
Temperature: 1.250000
Total energy: -1258.120290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.120290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.120290 (E_RNA)
where:
Base-Base interactions energy: -796.975
where: short stacking energy: -365.290
Base-Backbone interact. energy: -0.905
local terms energy: -460.240453
where:
bonds (distance) C4'-P energy: -107.331
bonds (distance) P-C4' energy: -118.454
flat angles C4'-P-C4' energy: -104.302
flat angles P-C4'-P energy: -69.376
tors. eta vs tors. theta energy: -60.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -917.584211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.584211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.584211 (E_RNA)
where:
Base-Base interactions energy: -499.660
where: short stacking energy: -266.412
Base-Backbone interact. energy: 0.042
local terms energy: -417.966395
where:
bonds (distance) C4'-P energy: -104.792
bonds (distance) P-C4' energy: -113.726
flat angles C4'-P-C4' energy: -93.935
flat angles P-C4'-P energy: -72.779
tors. eta vs tors. theta energy: -32.734
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: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -689.066089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.066089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.066089 (E_RNA)
where:
Base-Base interactions energy: -330.884
where: short stacking energy: -189.944
Base-Backbone interact. energy: 0.179
local terms energy: -358.361235
where:
bonds (distance) C4'-P energy: -90.188
bonds (distance) P-C4' energy: -125.503
flat angles C4'-P-C4' energy: -109.189
flat angles P-C4'-P energy: -44.521
tors. eta vs tors. theta energy: 11.041
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: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2268.558865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.558865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.558865 (E_RNA)
where:
Base-Base interactions energy: -1553.379
where: short stacking energy: -675.385
Base-Backbone interact. energy: -0.811
local terms energy: -714.368480
where:
bonds (distance) C4'-P energy: -115.610
bonds (distance) P-C4' energy: -143.244
flat angles C4'-P-C4' energy: -150.773
flat angles P-C4'-P energy: -110.929
tors. eta vs tors. theta energy: -193.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2214.589763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.589763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.589763 (E_RNA)
where:
Base-Base interactions energy: -1518.155
where: short stacking energy: -652.495
Base-Backbone interact. energy: 4.421
local terms energy: -700.856077
where:
bonds (distance) C4'-P energy: -117.739
bonds (distance) P-C4' energy: -133.905
flat angles C4'-P-C4' energy: -151.834
flat angles P-C4'-P energy: -99.251
tors. eta vs tors. theta energy: -198.128
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: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2085.613225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.613225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.613225 (E_RNA)
where:
Base-Base interactions energy: -1435.575
where: short stacking energy: -610.862
Base-Backbone interact. energy: 0.539
local terms energy: -650.577213
where:
bonds (distance) C4'-P energy: -124.820
bonds (distance) P-C4' energy: -139.823
flat angles C4'-P-C4' energy: -140.945
flat angles P-C4'-P energy: -90.190
tors. eta vs tors. theta energy: -154.800
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: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1960.781325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.781325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.781325 (E_RNA)
where:
Base-Base interactions energy: -1315.860
where: short stacking energy: -600.024
Base-Backbone interact. energy: 2.342
local terms energy: -647.263299
where:
bonds (distance) C4'-P energy: -126.332
bonds (distance) P-C4' energy: -114.196
flat angles C4'-P-C4' energy: -137.925
flat angles P-C4'-P energy: -100.151
tors. eta vs tors. theta energy: -168.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1858.374994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.374994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.374994 (E_RNA)
where:
Base-Base interactions energy: -1246.208
where: short stacking energy: -524.223
Base-Backbone interact. energy: -1.482
local terms energy: -610.684581
where:
bonds (distance) C4'-P energy: -111.405
bonds (distance) P-C4' energy: -129.006
flat angles C4'-P-C4' energy: -122.019
flat angles P-C4'-P energy: -95.833
tors. eta vs tors. theta energy: -152.421
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: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1757.583247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.583247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.583247 (E_RNA)
where:
Base-Base interactions energy: -1197.025
where: short stacking energy: -528.836
Base-Backbone interact. energy: -1.365
local terms energy: -559.192359
where:
bonds (distance) C4'-P energy: -114.642
bonds (distance) P-C4' energy: -106.367
flat angles C4'-P-C4' energy: -139.847
flat angles P-C4'-P energy: -63.025
tors. eta vs tors. theta energy: -135.311
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: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1548.508933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.508933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.508933 (E_RNA)
where:
Base-Base interactions energy: -1023.208
where: short stacking energy: -466.631
Base-Backbone interact. energy: -3.548
local terms energy: -521.752712
where:
bonds (distance) C4'-P energy: -102.543
bonds (distance) P-C4' energy: -122.757
flat angles C4'-P-C4' energy: -123.439
flat angles P-C4'-P energy: -70.151
tors. eta vs tors. theta energy: -102.863
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: 303
Temperature: 1.250000
Total energy: -1272.468420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.468420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.468420 (E_RNA)
where:
Base-Base interactions energy: -810.247
where: short stacking energy: -352.913
Base-Backbone interact. energy: -1.509
local terms energy: -460.711912
where:
bonds (distance) C4'-P energy: -90.332
bonds (distance) P-C4' energy: -106.575
flat angles C4'-P-C4' energy: -119.875
flat angles P-C4'-P energy: -72.649
tors. eta vs tors. theta energy: -71.282
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: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -893.649083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.649083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.649083 (E_RNA)
where:
Base-Base interactions energy: -469.604
where: short stacking energy: -246.934
Base-Backbone interact. energy: 2.558
local terms energy: -426.603293
where:
bonds (distance) C4'-P energy: -127.870
bonds (distance) P-C4' energy: -107.210
flat angles C4'-P-C4' energy: -109.905
flat angles P-C4'-P energy: -72.971
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: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -767.092194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.092194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.092194 (E_RNA)
where:
Base-Base interactions energy: -393.311
where: short stacking energy: -250.258
Base-Backbone interact. energy: 1.667
local terms energy: -375.448515
where:
bonds (distance) C4'-P energy: -88.879
bonds (distance) P-C4' energy: -120.399
flat angles C4'-P-C4' energy: -105.143
flat angles P-C4'-P energy: -37.717
tors. eta vs tors. theta energy: -23.310
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: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2289.315477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.315477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.315477 (E_RNA)
where:
Base-Base interactions energy: -1567.739
where: short stacking energy: -675.370
Base-Backbone interact. energy: -3.453
local terms energy: -718.123460
where:
bonds (distance) C4'-P energy: -126.942
bonds (distance) P-C4' energy: -137.784
flat angles C4'-P-C4' energy: -150.076
flat angles P-C4'-P energy: -103.121
tors. eta vs tors. theta energy: -200.201
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: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2213.297709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.297709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.297709 (E_RNA)
where:
Base-Base interactions energy: -1519.884
where: short stacking energy: -649.592
Base-Backbone interact. energy: -1.674
local terms energy: -691.739894
where:
bonds (distance) C4'-P energy: -117.328
bonds (distance) P-C4' energy: -126.233
flat angles C4'-P-C4' energy: -154.566
flat angles P-C4'-P energy: -99.870
tors. eta vs tors. theta energy: -193.743
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: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2076.649470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.649470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.649470 (E_RNA)
where:
Base-Base interactions energy: -1453.196
where: short stacking energy: -600.441
Base-Backbone interact. energy: -1.567
local terms energy: -621.886076
where:
bonds (distance) C4'-P energy: -102.181
bonds (distance) P-C4' energy: -126.302
flat angles C4'-P-C4' energy: -139.922
flat angles P-C4'-P energy: -101.676
tors. eta vs tors. theta energy: -151.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2000.941835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.941835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.941835 (E_RNA)
where:
Base-Base interactions energy: -1368.344
where: short stacking energy: -629.889
Base-Backbone interact. energy: -1.972
local terms energy: -630.625730
where:
bonds (distance) C4'-P energy: -123.892
bonds (distance) P-C4' energy: -108.211
flat angles C4'-P-C4' energy: -136.511
flat angles P-C4'-P energy: -92.511
tors. eta vs tors. theta energy: -169.501
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: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1878.841991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.841991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.841991 (E_RNA)
where:
Base-Base interactions energy: -1268.189
where: short stacking energy: -539.823
Base-Backbone interact. energy: -2.054
local terms energy: -608.599377
where:
bonds (distance) C4'-P energy: -109.463
bonds (distance) P-C4' energy: -116.856
flat angles C4'-P-C4' energy: -141.382
flat angles P-C4'-P energy: -80.077
tors. eta vs tors. theta energy: -160.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1723.330866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.330866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.330866 (E_RNA)
where:
Base-Base interactions energy: -1168.067
where: short stacking energy: -498.859
Base-Backbone interact. energy: 2.812
local terms energy: -558.075371
where:
bonds (distance) C4'-P energy: -115.788
bonds (distance) P-C4' energy: -122.485
flat angles C4'-P-C4' energy: -119.538
flat angles P-C4'-P energy: -77.279
tors. eta vs tors. theta energy: -122.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1532.979286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.979286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.979286 (E_RNA)
where:
Base-Base interactions energy: -1008.660
where: short stacking energy: -458.739
Base-Backbone interact. energy: -1.590
local terms energy: -522.728903
where:
bonds (distance) C4'-P energy: -93.916
bonds (distance) P-C4' energy: -118.396
flat angles C4'-P-C4' energy: -117.861
flat angles P-C4'-P energy: -78.182
tors. eta vs tors. theta energy: -114.375
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: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1256.108875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.108875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.108875 (E_RNA)
where:
Base-Base interactions energy: -801.594
where: short stacking energy: -371.635
Base-Backbone interact. energy: 1.856
local terms energy: -456.370451
where:
bonds (distance) C4'-P energy: -91.080
bonds (distance) P-C4' energy: -118.833
flat angles C4'-P-C4' energy: -110.219
flat angles P-C4'-P energy: -68.302
tors. eta vs tors. theta energy: -67.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -946.964054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.964054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.964054 (E_RNA)
where:
Base-Base interactions energy: -531.878
where: short stacking energy: -267.977
Base-Backbone interact. energy: -0.164
local terms energy: -414.921791
where:
bonds (distance) C4'-P energy: -106.716
bonds (distance) P-C4' energy: -112.024
flat angles C4'-P-C4' energy: -107.093
flat angles P-C4'-P energy: -63.141
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: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -706.849062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.849062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.849062 (E_RNA)
where:
Base-Base interactions energy: -358.251
where: short stacking energy: -219.175
Base-Backbone interact. energy: 0.587
local terms energy: -349.184527
where:
bonds (distance) C4'-P energy: -114.082
bonds (distance) P-C4' energy: -104.963
flat angles C4'-P-C4' energy: -78.508
flat angles P-C4'-P energy: -44.204
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2303.194268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.194268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.194268 (E_RNA)
where:
Base-Base interactions energy: -1579.019
where: short stacking energy: -668.037
Base-Backbone interact. energy: -4.887
local terms energy: -719.288527
where:
bonds (distance) C4'-P energy: -137.491
bonds (distance) P-C4' energy: -129.244
flat angles C4'-P-C4' energy: -153.629
flat angles P-C4'-P energy: -104.062
tors. eta vs tors. theta energy: -194.863
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: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2233.412251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.412251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.412251 (E_RNA)
where:
Base-Base interactions energy: -1546.746
where: short stacking energy: -650.030
Base-Backbone interact. energy: -2.490
local terms energy: -684.176186
where:
bonds (distance) C4'-P energy: -123.513
bonds (distance) P-C4' energy: -127.879
flat angles C4'-P-C4' energy: -147.834
flat angles P-C4'-P energy: -107.376
tors. eta vs tors. theta energy: -177.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2151.215533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.215533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.215533 (E_RNA)
where:
Base-Base interactions energy: -1491.209
where: short stacking energy: -640.264
Base-Backbone interact. energy: -3.857
local terms energy: -656.149470
where:
bonds (distance) C4'-P energy: -114.372
bonds (distance) P-C4' energy: -124.615
flat angles C4'-P-C4' energy: -137.276
flat angles P-C4'-P energy: -100.406
tors. eta vs tors. theta energy: -179.480
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: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1985.117184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.117184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.117184 (E_RNA)
where:
Base-Base interactions energy: -1348.798
where: short stacking energy: -605.793
Base-Backbone interact. energy: -1.299
local terms energy: -635.020810
where:
bonds (distance) C4'-P energy: -100.097
bonds (distance) P-C4' energy: -128.611
flat angles C4'-P-C4' energy: -139.529
flat angles P-C4'-P energy: -93.243
tors. eta vs tors. theta energy: -173.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1929.252192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.252192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.252192 (E_RNA)
where:
Base-Base interactions energy: -1317.554
where: short stacking energy: -526.265
Base-Backbone interact. energy: 0.950
local terms energy: -612.648661
where:
bonds (distance) C4'-P energy: -124.626
bonds (distance) P-C4' energy: -134.896
flat angles C4'-P-C4' energy: -110.871
flat angles P-C4'-P energy: -83.496
tors. eta vs tors. theta energy: -158.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1774.279714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.279714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.279714 (E_RNA)
where:
Base-Base interactions energy: -1179.816
where: short stacking energy: -496.357
Base-Backbone interact. energy: -1.451
local terms energy: -593.012978
where:
bonds (distance) C4'-P energy: -120.339
bonds (distance) P-C4' energy: -121.598
flat angles C4'-P-C4' energy: -132.946
flat angles P-C4'-P energy: -81.387
tors. eta vs tors. theta energy: -136.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1547.572393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.572393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.572393 (E_RNA)
where:
Base-Base interactions energy: -1028.112
where: short stacking energy: -461.417
Base-Backbone interact. energy: -4.079
local terms energy: -515.381062
where:
bonds (distance) C4'-P energy: -108.314
bonds (distance) P-C4' energy: -111.029
flat angles C4'-P-C4' energy: -120.694
flat angles P-C4'-P energy: -66.229
tors. eta vs tors. theta energy: -109.115
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: 305
Temperature: 1.250000
Total energy: -1264.063466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.063466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.063466 (E_RNA)
where:
Base-Base interactions energy: -787.741
where: short stacking energy: -341.739
Base-Backbone interact. energy: 0.159
local terms energy: -476.480960
where:
bonds (distance) C4'-P energy: -115.217
bonds (distance) P-C4' energy: -125.692
flat angles C4'-P-C4' energy: -107.526
flat angles P-C4'-P energy: -75.934
tors. eta vs tors. theta energy: -52.111
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: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -930.401162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.401162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.401162 (E_RNA)
where:
Base-Base interactions energy: -511.550
where: short stacking energy: -229.493
Base-Backbone interact. energy: 3.850
local terms energy: -422.700514
where:
bonds (distance) C4'-P energy: -116.257
bonds (distance) P-C4' energy: -131.961
flat angles C4'-P-C4' energy: -101.884
flat angles P-C4'-P energy: -48.844
tors. eta vs tors. theta energy: -23.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -742.602172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.602172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.602172 (E_RNA)
where:
Base-Base interactions energy: -368.109
where: short stacking energy: -213.265
Base-Backbone interact. energy: 0.088
local terms energy: -374.580502
where:
bonds (distance) C4'-P energy: -118.913
bonds (distance) P-C4' energy: -114.126
flat angles C4'-P-C4' energy: -84.811
flat angles P-C4'-P energy: -61.143
tors. eta vs tors. theta energy: 4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2327.450119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.450119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.450119 (E_RNA)
where:
Base-Base interactions energy: -1583.352
where: short stacking energy: -687.342
Base-Backbone interact. energy: -2.518
local terms energy: -741.580090
where:
bonds (distance) C4'-P energy: -134.802
bonds (distance) P-C4' energy: -143.854
flat angles C4'-P-C4' energy: -144.805
flat angles P-C4'-P energy: -109.371
tors. eta vs tors. theta energy: -208.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2245.343391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.343391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.343391 (E_RNA)
where:
Base-Base interactions energy: -1532.650
where: short stacking energy: -666.585
Base-Backbone interact. energy: -1.589
local terms energy: -711.104600
where:
bonds (distance) C4'-P energy: -131.370
bonds (distance) P-C4' energy: -124.924
flat angles C4'-P-C4' energy: -147.019
flat angles P-C4'-P energy: -107.682
tors. eta vs tors. theta energy: -200.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2123.363114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.363114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.363114 (E_RNA)
where:
Base-Base interactions energy: -1452.535
where: short stacking energy: -634.204
Base-Backbone interact. energy: -1.248
local terms energy: -669.579636
where:
bonds (distance) C4'-P energy: -136.341
bonds (distance) P-C4' energy: -116.487
flat angles C4'-P-C4' energy: -147.137
flat angles P-C4'-P energy: -93.927
tors. eta vs tors. theta energy: -175.688
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: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2012.174041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.174041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.174041 (E_RNA)
where:
Base-Base interactions energy: -1353.795
where: short stacking energy: -614.420
Base-Backbone interact. energy: -0.302
local terms energy: -658.077233
where:
bonds (distance) C4'-P energy: -122.046
bonds (distance) P-C4' energy: -113.271
flat angles C4'-P-C4' energy: -146.084
flat angles P-C4'-P energy: -99.264
tors. eta vs tors. theta energy: -177.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1927.284443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.284443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.284443 (E_RNA)
where:
Base-Base interactions energy: -1298.985
where: short stacking energy: -538.083
Base-Backbone interact. energy: -2.029
local terms energy: -626.270758
where:
bonds (distance) C4'-P energy: -121.492
bonds (distance) P-C4' energy: -130.510
flat angles C4'-P-C4' energy: -136.764
flat angles P-C4'-P energy: -89.748
tors. eta vs tors. theta energy: -147.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1764.542960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.542960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.542960 (E_RNA)
where:
Base-Base interactions energy: -1190.802
where: short stacking energy: -523.409
Base-Backbone interact. energy: -1.623
local terms energy: -572.118241
where:
bonds (distance) C4'-P energy: -102.021
bonds (distance) P-C4' energy: -122.991
flat angles C4'-P-C4' energy: -123.678
flat angles P-C4'-P energy: -74.607
tors. eta vs tors. theta energy: -148.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1592.950060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.950060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.950060 (E_RNA)
where:
Base-Base interactions energy: -1060.460
where: short stacking energy: -478.096
Base-Backbone interact. energy: -1.781
local terms energy: -530.709249
where:
bonds (distance) C4'-P energy: -102.405
bonds (distance) P-C4' energy: -126.944
flat angles C4'-P-C4' energy: -119.640
flat angles P-C4'-P energy: -62.532
tors. eta vs tors. theta energy: -119.188
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: 306
Temperature: 1.250000
Total energy: -1261.529139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.529139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.529139 (E_RNA)
where:
Base-Base interactions energy: -812.395
where: short stacking energy: -375.562
Base-Backbone interact. energy: -0.387
local terms energy: -448.747028
where:
bonds (distance) C4'-P energy: -103.734
bonds (distance) P-C4' energy: -102.433
flat angles C4'-P-C4' energy: -115.004
flat angles P-C4'-P energy: -56.249
tors. eta vs tors. theta energy: -71.326
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: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -922.297985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.297985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.297985 (E_RNA)
where:
Base-Base interactions energy: -490.371
where: short stacking energy: -257.634
Base-Backbone interact. energy: -3.188
local terms energy: -428.739128
where:
bonds (distance) C4'-P energy: -123.345
bonds (distance) P-C4' energy: -105.581
flat angles C4'-P-C4' energy: -116.852
flat angles P-C4'-P energy: -50.251
tors. eta vs tors. theta energy: -32.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -706.683948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.683948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.683948 (E_RNA)
where:
Base-Base interactions energy: -305.720
where: short stacking energy: -187.393
Base-Backbone interact. energy: -3.507
local terms energy: -397.456796
where:
bonds (distance) C4'-P energy: -106.689
bonds (distance) P-C4' energy: -120.818
flat angles C4'-P-C4' energy: -101.233
flat angles P-C4'-P energy: -68.373
tors. eta vs tors. theta energy: -0.344
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: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2313.177392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.177392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.177392 (E_RNA)
where:
Base-Base interactions energy: -1573.283
where: short stacking energy: -672.576
Base-Backbone interact. energy: -1.595
local terms energy: -738.299018
where:
bonds (distance) C4'-P energy: -122.713
bonds (distance) P-C4' energy: -132.565
flat angles C4'-P-C4' energy: -169.082
flat angles P-C4'-P energy: -104.554
tors. eta vs tors. theta energy: -209.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2228.323203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.323203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.323203 (E_RNA)
where:
Base-Base interactions energy: -1523.681
where: short stacking energy: -636.778
Base-Backbone interact. energy: -1.703
local terms energy: -702.938997
where:
bonds (distance) C4'-P energy: -115.394
bonds (distance) P-C4' energy: -133.711
flat angles C4'-P-C4' energy: -159.020
flat angles P-C4'-P energy: -101.008
tors. eta vs tors. theta energy: -193.807
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: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2122.241731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.241731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.241731 (E_RNA)
where:
Base-Base interactions energy: -1471.141
where: short stacking energy: -607.062
Base-Backbone interact. energy: -3.796
local terms energy: -647.304936
where:
bonds (distance) C4'-P energy: -128.518
bonds (distance) P-C4' energy: -117.946
flat angles C4'-P-C4' energy: -148.917
flat angles P-C4'-P energy: -88.410
tors. eta vs tors. theta energy: -163.513
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: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1986.720594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.720594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.720594 (E_RNA)
where:
Base-Base interactions energy: -1352.313
where: short stacking energy: -594.125
Base-Backbone interact. energy: 1.472
local terms energy: -635.879963
where:
bonds (distance) C4'-P energy: -119.250
bonds (distance) P-C4' energy: -118.670
flat angles C4'-P-C4' energy: -137.493
flat angles P-C4'-P energy: -91.873
tors. eta vs tors. theta energy: -168.594
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: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1967.248172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.248172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.248172 (E_RNA)
where:
Base-Base interactions energy: -1320.532
where: short stacking energy: -566.431
Base-Backbone interact. energy: -3.561
local terms energy: -643.154713
where:
bonds (distance) C4'-P energy: -121.911
bonds (distance) P-C4' energy: -117.224
flat angles C4'-P-C4' energy: -135.623
flat angles P-C4'-P energy: -92.908
tors. eta vs tors. theta energy: -175.489
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: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1790.974618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.974618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.974618 (E_RNA)
where:
Base-Base interactions energy: -1194.265
where: short stacking energy: -515.123
Base-Backbone interact. energy: 0.107
local terms energy: -596.817087
where:
bonds (distance) C4'-P energy: -128.580
bonds (distance) P-C4' energy: -115.525
flat angles C4'-P-C4' energy: -135.363
flat angles P-C4'-P energy: -86.189
tors. eta vs tors. theta energy: -131.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1554.795219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.795219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.795219 (E_RNA)
where:
Base-Base interactions energy: -1028.551
where: short stacking energy: -450.873
Base-Backbone interact. energy: 4.004
local terms energy: -530.247780
where:
bonds (distance) C4'-P energy: -110.799
bonds (distance) P-C4' energy: -114.507
flat angles C4'-P-C4' energy: -112.622
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -113.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1285.139695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.139695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.139695 (E_RNA)
where:
Base-Base interactions energy: -816.068
where: short stacking energy: -378.805
Base-Backbone interact. energy: -1.507
local terms energy: -467.564892
where:
bonds (distance) C4'-P energy: -116.899
bonds (distance) P-C4' energy: -105.101
flat angles C4'-P-C4' energy: -95.069
flat angles P-C4'-P energy: -75.871
tors. eta vs tors. theta energy: -74.626
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: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -921.404937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.404937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.404937 (E_RNA)
where:
Base-Base interactions energy: -540.785
where: short stacking energy: -260.373
Base-Backbone interact. energy: 7.858
local terms energy: -388.478284
where:
bonds (distance) C4'-P energy: -111.118
bonds (distance) P-C4' energy: -93.429
flat angles C4'-P-C4' energy: -97.896
flat angles P-C4'-P energy: -48.823
tors. eta vs tors. theta energy: -37.212
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: 307
Temperature: 1.350000
Total energy: -709.672089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.672089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.672089 (E_RNA)
where:
Base-Base interactions energy: -372.803
where: short stacking energy: -219.817
Base-Backbone interact. energy: -2.897
local terms energy: -333.972031
where:
bonds (distance) C4'-P energy: -98.837
bonds (distance) P-C4' energy: -98.178
flat angles C4'-P-C4' energy: -91.782
flat angles P-C4'-P energy: -41.033
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: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2309.868449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.868449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.868449 (E_RNA)
where:
Base-Base interactions energy: -1572.197
where: short stacking energy: -694.254
Base-Backbone interact. energy: -0.345
local terms energy: -737.326261
where:
bonds (distance) C4'-P energy: -131.880
bonds (distance) P-C4' energy: -134.791
flat angles C4'-P-C4' energy: -150.711
flat angles P-C4'-P energy: -107.611
tors. eta vs tors. theta energy: -212.333
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: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2238.293008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.293008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.293008 (E_RNA)
where:
Base-Base interactions energy: -1527.712
where: short stacking energy: -665.032
Base-Backbone interact. energy: 0.302
local terms energy: -710.882911
where:
bonds (distance) C4'-P energy: -131.967
bonds (distance) P-C4' energy: -133.169
flat angles C4'-P-C4' energy: -143.647
flat angles P-C4'-P energy: -98.545
tors. eta vs tors. theta energy: -203.555
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: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2110.629739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.629739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.629739 (E_RNA)
where:
Base-Base interactions energy: -1444.548
where: short stacking energy: -627.769
Base-Backbone interact. energy: -4.195
local terms energy: -661.886910
where:
bonds (distance) C4'-P energy: -133.278
bonds (distance) P-C4' energy: -120.046
flat angles C4'-P-C4' energy: -140.346
flat angles P-C4'-P energy: -94.307
tors. eta vs tors. theta energy: -173.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2016.781425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.781425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.781425 (E_RNA)
where:
Base-Base interactions energy: -1341.333
where: short stacking energy: -610.830
Base-Backbone interact. energy: -3.048
local terms energy: -672.400851
where:
bonds (distance) C4'-P energy: -117.395
bonds (distance) P-C4' energy: -118.616
flat angles C4'-P-C4' energy: -151.870
flat angles P-C4'-P energy: -99.777
tors. eta vs tors. theta energy: -184.742
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: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1945.609493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.609493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.609493 (E_RNA)
where:
Base-Base interactions energy: -1345.157
where: short stacking energy: -535.913
Base-Backbone interact. energy: -5.020
local terms energy: -595.432609
where:
bonds (distance) C4'-P energy: -106.651
bonds (distance) P-C4' energy: -123.548
flat angles C4'-P-C4' energy: -133.937
flat angles P-C4'-P energy: -87.797
tors. eta vs tors. theta energy: -143.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1818.746687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.746687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.746687 (E_RNA)
where:
Base-Base interactions energy: -1248.714
where: short stacking energy: -552.899
Base-Backbone interact. energy: -0.390
local terms energy: -569.642536
where:
bonds (distance) C4'-P energy: -116.117
bonds (distance) P-C4' energy: -118.704
flat angles C4'-P-C4' energy: -121.428
flat angles P-C4'-P energy: -75.741
tors. eta vs tors. theta energy: -137.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1579.564971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.564971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.564971 (E_RNA)
where:
Base-Base interactions energy: -1042.028
where: short stacking energy: -468.058
Base-Backbone interact. energy: -2.973
local terms energy: -534.564511
where:
bonds (distance) C4'-P energy: -101.877
bonds (distance) P-C4' energy: -116.664
flat angles C4'-P-C4' energy: -125.640
flat angles P-C4'-P energy: -76.488
tors. eta vs tors. theta energy: -113.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1261.083602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.083602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.083602 (E_RNA)
where:
Base-Base interactions energy: -799.041
where: short stacking energy: -374.695
Base-Backbone interact. energy: -1.312
local terms energy: -460.730944
where:
bonds (distance) C4'-P energy: -102.080
bonds (distance) P-C4' energy: -105.670
flat angles C4'-P-C4' energy: -109.511
flat angles P-C4'-P energy: -70.222
tors. eta vs tors. theta energy: -73.248
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: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -879.687770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.687770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.687770 (E_RNA)
where:
Base-Base interactions energy: -480.961
where: short stacking energy: -270.100
Base-Backbone interact. energy: -1.307
local terms energy: -397.419775
where:
bonds (distance) C4'-P energy: -108.814
bonds (distance) P-C4' energy: -119.479
flat angles C4'-P-C4' energy: -113.644
flat angles P-C4'-P energy: -35.388
tors. eta vs tors. theta energy: -20.094
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: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -764.115542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.115542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.115542 (E_RNA)
where:
Base-Base interactions energy: -399.962
where: short stacking energy: -185.904
Base-Backbone interact. energy: -0.413
local terms energy: -363.740270
where:
bonds (distance) C4'-P energy: -105.463
bonds (distance) P-C4' energy: -120.441
flat angles C4'-P-C4' energy: -92.103
flat angles P-C4'-P energy: -46.446
tors. eta vs tors. theta energy: 0.713
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: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2300.992480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.992480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.992480 (E_RNA)
where:
Base-Base interactions energy: -1556.887
where: short stacking energy: -675.126
Base-Backbone interact. energy: -2.745
local terms energy: -741.360370
where:
bonds (distance) C4'-P energy: -137.724
bonds (distance) P-C4' energy: -133.941
flat angles C4'-P-C4' energy: -151.030
flat angles P-C4'-P energy: -110.678
tors. eta vs tors. theta energy: -207.987
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: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2228.356136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.356136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.356136 (E_RNA)
where:
Base-Base interactions energy: -1527.791
where: short stacking energy: -663.481
Base-Backbone interact. energy: -2.417
local terms energy: -698.147348
where:
bonds (distance) C4'-P energy: -122.337
bonds (distance) P-C4' energy: -127.040
flat angles C4'-P-C4' energy: -152.636
flat angles P-C4'-P energy: -98.423
tors. eta vs tors. theta energy: -197.710
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: 309
Temperature: 1.000000
Total energy: -2118.151262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.151262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.151262 (E_RNA)
where:
Base-Base interactions energy: -1458.652
where: short stacking energy: -634.604
Base-Backbone interact. energy: -1.163
local terms energy: -658.337093
where:
bonds (distance) C4'-P energy: -127.094
bonds (distance) P-C4' energy: -130.644
flat angles C4'-P-C4' energy: -129.720
flat angles P-C4'-P energy: -92.761
tors. eta vs tors. theta energy: -178.117
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: 2
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2066.762692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.762692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.762692 (E_RNA)
where:
Base-Base interactions energy: -1418.539
where: short stacking energy: -609.111
Base-Backbone interact. energy: -3.946
local terms energy: -644.277467
where:
bonds (distance) C4'-P energy: -122.639
bonds (distance) P-C4' energy: -117.760
flat angles C4'-P-C4' energy: -144.178
flat angles P-C4'-P energy: -86.687
tors. eta vs tors. theta energy: -173.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1985.104589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.104589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.104589 (E_RNA)
where:
Base-Base interactions energy: -1370.635
where: short stacking energy: -559.014
Base-Backbone interact. energy: -4.558
local terms energy: -609.911542
where:
bonds (distance) C4'-P energy: -120.957
bonds (distance) P-C4' energy: -122.405
flat angles C4'-P-C4' energy: -119.936
flat angles P-C4'-P energy: -84.846
tors. eta vs tors. theta energy: -161.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1828.905529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.905529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.905529 (E_RNA)
where:
Base-Base interactions energy: -1250.262
where: short stacking energy: -543.335
Base-Backbone interact. energy: -0.474
local terms energy: -578.169412
where:
bonds (distance) C4'-P energy: -103.349
bonds (distance) P-C4' energy: -111.615
flat angles C4'-P-C4' energy: -127.722
flat angles P-C4'-P energy: -79.535
tors. eta vs tors. theta energy: -155.949
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: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1655.366456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.366456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.366456 (E_RNA)
where:
Base-Base interactions energy: -1126.753
where: short stacking energy: -493.433
Base-Backbone interact. energy: -0.625
local terms energy: -527.987768
where:
bonds (distance) C4'-P energy: -108.510
bonds (distance) P-C4' energy: -101.624
flat angles C4'-P-C4' energy: -129.304
flat angles P-C4'-P energy: -65.955
tors. eta vs tors. theta energy: -122.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1289.767742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.767742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.767742 (E_RNA)
where:
Base-Base interactions energy: -804.483
where: short stacking energy: -377.621
Base-Backbone interact. energy: -0.585
local terms energy: -484.700119
where:
bonds (distance) C4'-P energy: -99.819
bonds (distance) P-C4' energy: -117.632
flat angles C4'-P-C4' energy: -122.811
flat angles P-C4'-P energy: -75.049
tors. eta vs tors. theta energy: -69.389
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: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -882.704904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.704904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.704904 (E_RNA)
where:
Base-Base interactions energy: -517.040
where: short stacking energy: -263.657
Base-Backbone interact. energy: 2.155
local terms energy: -367.819546
where:
bonds (distance) C4'-P energy: -82.154
bonds (distance) P-C4' energy: -116.296
flat angles C4'-P-C4' energy: -90.540
flat angles P-C4'-P energy: -54.998
tors. eta vs tors. theta energy: -23.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -796.229432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.229432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.229432 (E_RNA)
where:
Base-Base interactions energy: -430.953
where: short stacking energy: -244.189
Base-Backbone interact. energy: 3.505
local terms energy: -368.781417
where:
bonds (distance) C4'-P energy: -94.692
bonds (distance) P-C4' energy: -92.932
flat angles C4'-P-C4' energy: -109.471
flat angles P-C4'-P energy: -51.128
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2310.418335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.418335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.418335 (E_RNA)
where:
Base-Base interactions energy: -1548.381
where: short stacking energy: -656.148
Base-Backbone interact. energy: -3.708
local terms energy: -758.328608
where:
bonds (distance) C4'-P energy: -139.167
bonds (distance) P-C4' energy: -140.322
flat angles C4'-P-C4' energy: -157.589
flat angles P-C4'-P energy: -112.697
tors. eta vs tors. theta energy: -208.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2241.076643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.076643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.076643 (E_RNA)
where:
Base-Base interactions energy: -1547.627
where: short stacking energy: -678.098
Base-Backbone interact. energy: -1.866
local terms energy: -691.583645
where:
bonds (distance) C4'-P energy: -124.352
bonds (distance) P-C4' energy: -141.585
flat angles C4'-P-C4' energy: -136.086
flat angles P-C4'-P energy: -85.459
tors. eta vs tors. theta energy: -204.102
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: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2128.661365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.661365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.661365 (E_RNA)
where:
Base-Base interactions energy: -1471.450
where: short stacking energy: -613.982
Base-Backbone interact. energy: 0.684
local terms energy: -657.895602
where:
bonds (distance) C4'-P energy: -135.391
bonds (distance) P-C4' energy: -124.517
flat angles C4'-P-C4' energy: -145.613
flat angles P-C4'-P energy: -85.712
tors. eta vs tors. theta energy: -166.662
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: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2036.182756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.182756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.182756 (E_RNA)
where:
Base-Base interactions energy: -1375.749
where: short stacking energy: -628.203
Base-Backbone interact. energy: -1.655
local terms energy: -658.779103
where:
bonds (distance) C4'-P energy: -129.326
bonds (distance) P-C4' energy: -118.028
flat angles C4'-P-C4' energy: -140.397
flat angles P-C4'-P energy: -86.609
tors. eta vs tors. theta energy: -184.419
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: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2013.584667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.584667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.584667 (E_RNA)
where:
Base-Base interactions energy: -1396.221
where: short stacking energy: -574.996
Base-Backbone interact. energy: -2.439
local terms energy: -614.924560
where:
bonds (distance) C4'-P energy: -94.076
bonds (distance) P-C4' energy: -133.964
flat angles C4'-P-C4' energy: -127.841
flat angles P-C4'-P energy: -88.886
tors. eta vs tors. theta energy: -170.157
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: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1810.240378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.240378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.240378 (E_RNA)
where:
Base-Base interactions energy: -1252.235
where: short stacking energy: -520.745
Base-Backbone interact. energy: -0.304
local terms energy: -557.701512
where:
bonds (distance) C4'-P energy: -115.570
bonds (distance) P-C4' energy: -100.104
flat angles C4'-P-C4' energy: -126.684
flat angles P-C4'-P energy: -86.386
tors. eta vs tors. theta energy: -128.957
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: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1650.775554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.775554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.775554 (E_RNA)
where:
Base-Base interactions energy: -1137.211
where: short stacking energy: -495.587
Base-Backbone interact. energy: -4.512
local terms energy: -509.051904
where:
bonds (distance) C4'-P energy: -96.634
bonds (distance) P-C4' energy: -99.352
flat angles C4'-P-C4' energy: -113.798
flat angles P-C4'-P energy: -79.506
tors. eta vs tors. theta energy: -119.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1301.897398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.897398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.897398 (E_RNA)
where:
Base-Base interactions energy: -826.002
where: short stacking energy: -387.554
Base-Backbone interact. energy: 0.260
local terms energy: -476.155527
where:
bonds (distance) C4'-P energy: -100.122
bonds (distance) P-C4' energy: -125.874
flat angles C4'-P-C4' energy: -108.031
flat angles P-C4'-P energy: -66.463
tors. eta vs tors. theta energy: -75.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -874.374746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.374746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.374746 (E_RNA)
where:
Base-Base interactions energy: -491.703
where: short stacking energy: -237.355
Base-Backbone interact. energy: 0.075
local terms energy: -382.747688
where:
bonds (distance) C4'-P energy: -117.335
bonds (distance) P-C4' energy: -85.867
flat angles C4'-P-C4' energy: -107.810
flat angles P-C4'-P energy: -61.251
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -755.524934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.524934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.524934 (E_RNA)
where:
Base-Base interactions energy: -376.293
where: short stacking energy: -202.944
Base-Backbone interact. energy: -0.709
local terms energy: -378.523642
where:
bonds (distance) C4'-P energy: -109.659
bonds (distance) P-C4' energy: -112.117
flat angles C4'-P-C4' energy: -94.942
flat angles P-C4'-P energy: -57.015
tors. eta vs tors. theta energy: -4.791
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: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2306.189815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.189815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.189815 (E_RNA)
where:
Base-Base interactions energy: -1600.072
where: short stacking energy: -657.712
Base-Backbone interact. energy: -2.456
local terms energy: -703.662180
where:
bonds (distance) C4'-P energy: -120.823
bonds (distance) P-C4' energy: -137.735
flat angles C4'-P-C4' energy: -152.327
flat angles P-C4'-P energy: -93.447
tors. eta vs tors. theta energy: -199.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2217.224915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.224915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.224915 (E_RNA)
where:
Base-Base interactions energy: -1499.838
where: short stacking energy: -655.630
Base-Backbone interact. energy: -4.027
local terms energy: -713.359656
where:
bonds (distance) C4'-P energy: -125.899
bonds (distance) P-C4' energy: -128.634
flat angles C4'-P-C4' energy: -155.272
flat angles P-C4'-P energy: -102.678
tors. eta vs tors. theta energy: -200.876
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: 311
Temperature: 1.000000
Total energy: -2123.941545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.941545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.941545 (E_RNA)
where:
Base-Base interactions energy: -1496.346
where: short stacking energy: -618.277
Base-Backbone interact. energy: -5.290
local terms energy: -622.305470
where:
bonds (distance) C4'-P energy: -105.565
bonds (distance) P-C4' energy: -122.442
flat angles C4'-P-C4' energy: -138.213
flat angles P-C4'-P energy: -89.469
tors. eta vs tors. theta energy: -166.617
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: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2038.569808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.569808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.569808 (E_RNA)
where:
Base-Base interactions energy: -1423.748
where: short stacking energy: -570.664
Base-Backbone interact. energy: -3.390
local terms energy: -611.431958
where:
bonds (distance) C4'-P energy: -102.424
bonds (distance) P-C4' energy: -130.843
flat angles C4'-P-C4' energy: -129.393
flat angles P-C4'-P energy: -85.909
tors. eta vs tors. theta energy: -162.862
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: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1976.225256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.225256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.225256 (E_RNA)
where:
Base-Base interactions energy: -1353.048
where: short stacking energy: -588.239
Base-Backbone interact. energy: 1.293
local terms energy: -624.469757
where:
bonds (distance) C4'-P energy: -112.972
bonds (distance) P-C4' energy: -105.587
flat angles C4'-P-C4' energy: -145.463
flat angles P-C4'-P energy: -92.628
tors. eta vs tors. theta energy: -167.820
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: 311
Temperature: 1.150000
Total energy: -1835.392516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.392516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.392516 (E_RNA)
where:
Base-Base interactions energy: -1238.872
where: short stacking energy: -556.801
Base-Backbone interact. energy: -1.751
local terms energy: -594.769475
where:
bonds (distance) C4'-P energy: -114.031
bonds (distance) P-C4' energy: -111.802
flat angles C4'-P-C4' energy: -133.804
flat angles P-C4'-P energy: -80.141
tors. eta vs tors. theta energy: -154.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1597.986127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.986127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.986127 (E_RNA)
where:
Base-Base interactions energy: -1031.109
where: short stacking energy: -470.644
Base-Backbone interact. energy: -1.763
local terms energy: -565.113360
where:
bonds (distance) C4'-P energy: -109.567
bonds (distance) P-C4' energy: -118.479
flat angles C4'-P-C4' energy: -130.642
flat angles P-C4'-P energy: -85.150
tors. eta vs tors. theta energy: -121.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1309.814051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.814051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.814051 (E_RNA)
where:
Base-Base interactions energy: -825.601
where: short stacking energy: -397.891
Base-Backbone interact. energy: -0.484
local terms energy: -483.729232
where:
bonds (distance) C4'-P energy: -106.241
bonds (distance) P-C4' energy: -105.045
flat angles C4'-P-C4' energy: -119.043
flat angles P-C4'-P energy: -69.729
tors. eta vs tors. theta energy: -83.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -886.189051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.189051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.189051 (E_RNA)
where:
Base-Base interactions energy: -505.635
where: short stacking energy: -273.874
Base-Backbone interact. energy: 4.062
local terms energy: -384.616341
where:
bonds (distance) C4'-P energy: -118.358
bonds (distance) P-C4' energy: -100.981
flat angles C4'-P-C4' energy: -91.406
flat angles P-C4'-P energy: -48.599
tors. eta vs tors. theta energy: -25.272
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: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -727.881265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.881265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.881265 (E_RNA)
where:
Base-Base interactions energy: -375.860
where: short stacking energy: -209.649
Base-Backbone interact. energy: 2.769
local terms energy: -354.790691
where:
bonds (distance) C4'-P energy: -90.825
bonds (distance) P-C4' energy: -93.101
flat angles C4'-P-C4' energy: -115.519
flat angles P-C4'-P energy: -55.020
tors. eta vs tors. theta energy: -0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2305.780458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.780458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.780458 (E_RNA)
where:
Base-Base interactions energy: -1613.043
where: short stacking energy: -666.285
Base-Backbone interact. energy: -5.439
local terms energy: -687.298440
where:
bonds (distance) C4'-P energy: -122.074
bonds (distance) P-C4' energy: -123.870
flat angles C4'-P-C4' energy: -143.534
flat angles P-C4'-P energy: -99.722
tors. eta vs tors. theta energy: -198.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2199.507102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.507102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.507102 (E_RNA)
where:
Base-Base interactions energy: -1502.808
where: short stacking energy: -668.307
Base-Backbone interact. energy: -3.015
local terms energy: -693.683494
where:
bonds (distance) C4'-P energy: -121.268
bonds (distance) P-C4' energy: -128.828
flat angles C4'-P-C4' energy: -146.321
flat angles P-C4'-P energy: -96.167
tors. eta vs tors. theta energy: -201.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2095.301930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.301930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.301930 (E_RNA)
where:
Base-Base interactions energy: -1440.023
where: short stacking energy: -607.884
Base-Backbone interact. energy: -2.875
local terms energy: -652.404190
where:
bonds (distance) C4'-P energy: -123.150
bonds (distance) P-C4' energy: -126.031
flat angles C4'-P-C4' energy: -143.654
flat angles P-C4'-P energy: -83.035
tors. eta vs tors. theta energy: -176.534
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: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2066.494412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.494412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.494412 (E_RNA)
where:
Base-Base interactions energy: -1435.081
where: short stacking energy: -607.214
Base-Backbone interact. energy: 3.415
local terms energy: -634.828452
where:
bonds (distance) C4'-P energy: -127.511
bonds (distance) P-C4' energy: -127.335
flat angles C4'-P-C4' energy: -143.390
flat angles P-C4'-P energy: -88.096
tors. eta vs tors. theta energy: -148.497
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: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1969.202007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.202007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.202007 (E_RNA)
where:
Base-Base interactions energy: -1351.914
where: short stacking energy: -575.647
Base-Backbone interact. energy: 1.411
local terms energy: -618.699647
where:
bonds (distance) C4'-P energy: -115.196
bonds (distance) P-C4' energy: -123.346
flat angles C4'-P-C4' energy: -119.024
flat angles P-C4'-P energy: -108.895
tors. eta vs tors. theta energy: -152.237
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: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1779.954065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.954065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.954065 (E_RNA)
where:
Base-Base interactions energy: -1207.127
where: short stacking energy: -519.490
Base-Backbone interact. energy: 2.276
local terms energy: -575.102653
where:
bonds (distance) C4'-P energy: -116.897
bonds (distance) P-C4' energy: -115.867
flat angles C4'-P-C4' energy: -128.731
flat angles P-C4'-P energy: -82.374
tors. eta vs tors. theta energy: -131.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1509.154311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.154311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.154311 (E_RNA)
where:
Base-Base interactions energy: -968.769
where: short stacking energy: -429.098
Base-Backbone interact. energy: 0.589
local terms energy: -540.974781
where:
bonds (distance) C4'-P energy: -124.551
bonds (distance) P-C4' energy: -131.720
flat angles C4'-P-C4' energy: -117.110
flat angles P-C4'-P energy: -71.008
tors. eta vs tors. theta energy: -96.586
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: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1291.894864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.894864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.894864 (E_RNA)
where:
Base-Base interactions energy: -796.133
where: short stacking energy: -362.970
Base-Backbone interact. energy: 0.367
local terms energy: -496.129263
where:
bonds (distance) C4'-P energy: -119.035
bonds (distance) P-C4' energy: -110.986
flat angles C4'-P-C4' energy: -104.472
flat angles P-C4'-P energy: -75.468
tors. eta vs tors. theta energy: -86.169
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: 312
Temperature: 1.300000
Total energy: -957.776606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.776606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.776606 (E_RNA)
where:
Base-Base interactions energy: -553.791
where: short stacking energy: -293.928
Base-Backbone interact. energy: -2.296
local terms energy: -401.689375
where:
bonds (distance) C4'-P energy: -98.819
bonds (distance) P-C4' energy: -101.826
flat angles C4'-P-C4' energy: -90.998
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -44.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -706.515118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.515118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.515118 (E_RNA)
where:
Base-Base interactions energy: -358.862
where: short stacking energy: -230.554
Base-Backbone interact. energy: -2.290
local terms energy: -345.363672
where:
bonds (distance) C4'-P energy: -102.389
bonds (distance) P-C4' energy: -107.113
flat angles C4'-P-C4' energy: -100.229
flat angles P-C4'-P energy: -59.713
tors. eta vs tors. theta energy: 24.079
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: 313
Temperature: 0.900000
Total energy: -2297.239105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.239105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.239105 (E_RNA)
where:
Base-Base interactions energy: -1577.065
where: short stacking energy: -686.130
Base-Backbone interact. energy: -2.329
local terms energy: -717.844298
where:
bonds (distance) C4'-P energy: -117.540
bonds (distance) P-C4' energy: -137.353
flat angles C4'-P-C4' energy: -149.045
flat angles P-C4'-P energy: -107.759
tors. eta vs tors. theta energy: -206.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2219.509416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.509416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.509416 (E_RNA)
where:
Base-Base interactions energy: -1499.526
where: short stacking energy: -639.562
Base-Backbone interact. energy: -2.241
local terms energy: -717.741855
where:
bonds (distance) C4'-P energy: -128.642
bonds (distance) P-C4' energy: -133.746
flat angles C4'-P-C4' energy: -144.675
flat angles P-C4'-P energy: -107.074
tors. eta vs tors. theta energy: -203.605
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: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2074.143119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.143119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.143119 (E_RNA)
where:
Base-Base interactions energy: -1423.697
where: short stacking energy: -583.558
Base-Backbone interact. energy: -5.157
local terms energy: -645.289082
where:
bonds (distance) C4'-P energy: -105.049
bonds (distance) P-C4' energy: -124.251
flat angles C4'-P-C4' energy: -148.874
flat angles P-C4'-P energy: -97.825
tors. eta vs tors. theta energy: -169.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2003.600122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.600122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.600122 (E_RNA)
where:
Base-Base interactions energy: -1412.384
where: short stacking energy: -583.080
Base-Backbone interact. energy: -2.915
local terms energy: -588.301015
where:
bonds (distance) C4'-P energy: -113.025
bonds (distance) P-C4' energy: -129.086
flat angles C4'-P-C4' energy: -119.170
flat angles P-C4'-P energy: -71.296
tors. eta vs tors. theta energy: -155.724
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: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1964.075604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.075604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.075604 (E_RNA)
where:
Base-Base interactions energy: -1319.298
where: short stacking energy: -571.832
Base-Backbone interact. energy: 2.380
local terms energy: -647.157617
where:
bonds (distance) C4'-P energy: -128.683
bonds (distance) P-C4' energy: -125.939
flat angles C4'-P-C4' energy: -129.208
flat angles P-C4'-P energy: -99.181
tors. eta vs tors. theta energy: -164.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1777.139507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.139507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.139507 (E_RNA)
where:
Base-Base interactions energy: -1186.637
where: short stacking energy: -527.593
Base-Backbone interact. energy: -2.431
local terms energy: -588.071620
where:
bonds (distance) C4'-P energy: -120.541
bonds (distance) P-C4' energy: -120.744
flat angles C4'-P-C4' energy: -126.410
flat angles P-C4'-P energy: -73.018
tors. eta vs tors. theta energy: -147.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1563.409670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.409670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.409670 (E_RNA)
where:
Base-Base interactions energy: -1050.607
where: short stacking energy: -471.049
Base-Backbone interact. energy: -0.544
local terms energy: -512.258775
where:
bonds (distance) C4'-P energy: -113.021
bonds (distance) P-C4' energy: -107.135
flat angles C4'-P-C4' energy: -124.352
flat angles P-C4'-P energy: -63.975
tors. eta vs tors. theta energy: -103.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1246.752069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.752069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.752069 (E_RNA)
where:
Base-Base interactions energy: -753.422
where: short stacking energy: -311.996
Base-Backbone interact. energy: 3.929
local terms energy: -497.258917
where:
bonds (distance) C4'-P energy: -125.552
bonds (distance) P-C4' energy: -121.591
flat angles C4'-P-C4' energy: -117.536
flat angles P-C4'-P energy: -76.684
tors. eta vs tors. theta energy: -55.896
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: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -970.083011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.083011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.083011 (E_RNA)
where:
Base-Base interactions energy: -536.246
where: short stacking energy: -287.262
Base-Backbone interact. energy: 3.370
local terms energy: -437.206457
where:
bonds (distance) C4'-P energy: -100.613
bonds (distance) P-C4' energy: -112.754
flat angles C4'-P-C4' energy: -110.778
flat angles P-C4'-P energy: -59.119
tors. eta vs tors. theta energy: -53.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -763.836595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.836595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.836595 (E_RNA)
where:
Base-Base interactions energy: -399.726
where: short stacking energy: -217.154
Base-Backbone interact. energy: 1.603
local terms energy: -365.713427
where:
bonds (distance) C4'-P energy: -111.798
bonds (distance) P-C4' energy: -109.938
flat angles C4'-P-C4' energy: -100.352
flat angles P-C4'-P energy: -43.141
tors. eta vs tors. theta energy: -0.485
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: 314
Temperature: 0.900000
Total energy: -2308.608343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.608343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.608343 (E_RNA)
where:
Base-Base interactions energy: -1589.380
where: short stacking energy: -686.824
Base-Backbone interact. energy: -0.595
local terms energy: -718.633040
where:
bonds (distance) C4'-P energy: -131.948
bonds (distance) P-C4' energy: -120.099
flat angles C4'-P-C4' energy: -153.583
flat angles P-C4'-P energy: -107.464
tors. eta vs tors. theta energy: -205.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2237.117903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.117903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.117903 (E_RNA)
where:
Base-Base interactions energy: -1529.601
where: short stacking energy: -692.835
Base-Backbone interact. energy: -0.807
local terms energy: -706.710411
where:
bonds (distance) C4'-P energy: -123.214
bonds (distance) P-C4' energy: -132.933
flat angles C4'-P-C4' energy: -149.340
flat angles P-C4'-P energy: -100.321
tors. eta vs tors. theta energy: -200.903
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: 314
Temperature: 1.000000
Total energy: -2109.734000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.734000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.734000 (E_RNA)
where:
Base-Base interactions energy: -1458.978
where: short stacking energy: -599.928
Base-Backbone interact. energy: -3.146
local terms energy: -647.609465
where:
bonds (distance) C4'-P energy: -117.340
bonds (distance) P-C4' energy: -123.941
flat angles C4'-P-C4' energy: -152.836
flat angles P-C4'-P energy: -91.381
tors. eta vs tors. theta energy: -162.113
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: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2048.368517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.368517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.368517 (E_RNA)
where:
Base-Base interactions energy: -1400.763
where: short stacking energy: -584.606
Base-Backbone interact. energy: -3.153
local terms energy: -644.452726
where:
bonds (distance) C4'-P energy: -119.048
bonds (distance) P-C4' energy: -119.545
flat angles C4'-P-C4' energy: -157.231
flat angles P-C4'-P energy: -84.775
tors. eta vs tors. theta energy: -163.854
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: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1970.328754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.328754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.328754 (E_RNA)
where:
Base-Base interactions energy: -1341.109
where: short stacking energy: -586.396
Base-Backbone interact. energy: -1.411
local terms energy: -627.809113
where:
bonds (distance) C4'-P energy: -122.822
bonds (distance) P-C4' energy: -120.133
flat angles C4'-P-C4' energy: -128.054
flat angles P-C4'-P energy: -85.494
tors. eta vs tors. theta energy: -171.306
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: 314
Temperature: 1.150000
Total energy: -1740.701508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.701508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.701508 (E_RNA)
where:
Base-Base interactions energy: -1170.359
where: short stacking energy: -521.034
Base-Backbone interact. energy: 0.487
local terms energy: -570.829481
where:
bonds (distance) C4'-P energy: -118.096
bonds (distance) P-C4' energy: -110.175
flat angles C4'-P-C4' energy: -123.875
flat angles P-C4'-P energy: -80.468
tors. eta vs tors. theta energy: -138.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1574.693256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.693256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.693256 (E_RNA)
where:
Base-Base interactions energy: -1036.550
where: short stacking energy: -446.240
Base-Backbone interact. energy: -1.063
local terms energy: -537.079614
where:
bonds (distance) C4'-P energy: -102.527
bonds (distance) P-C4' energy: -119.039
flat angles C4'-P-C4' energy: -115.825
flat angles P-C4'-P energy: -82.557
tors. eta vs tors. theta energy: -117.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1285.349141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.349141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.349141 (E_RNA)
where:
Base-Base interactions energy: -819.977
where: short stacking energy: -360.674
Base-Backbone interact. energy: -0.577
local terms energy: -464.795872
where:
bonds (distance) C4'-P energy: -118.842
bonds (distance) P-C4' energy: -101.444
flat angles C4'-P-C4' energy: -113.448
flat angles P-C4'-P energy: -53.759
tors. eta vs tors. theta energy: -77.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -912.057181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.057181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.057181 (E_RNA)
where:
Base-Base interactions energy: -498.592
where: short stacking energy: -247.418
Base-Backbone interact. energy: 1.667
local terms energy: -415.131934
where:
bonds (distance) C4'-P energy: -114.453
bonds (distance) P-C4' energy: -121.912
flat angles C4'-P-C4' energy: -83.680
flat angles P-C4'-P energy: -68.316
tors. eta vs tors. theta energy: -26.770
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: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -725.252479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.252479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.252479 (E_RNA)
where:
Base-Base interactions energy: -361.441
where: short stacking energy: -186.799
Base-Backbone interact. energy: -1.518
local terms energy: -362.293561
where:
bonds (distance) C4'-P energy: -110.315
bonds (distance) P-C4' energy: -116.091
flat angles C4'-P-C4' energy: -83.925
flat angles P-C4'-P energy: -58.242
tors. eta vs tors. theta energy: 6.280
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: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2315.562720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.562720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.562720 (E_RNA)
where:
Base-Base interactions energy: -1578.419
where: short stacking energy: -690.815
Base-Backbone interact. energy: -0.618
local terms energy: -736.525887
where:
bonds (distance) C4'-P energy: -135.711
bonds (distance) P-C4' energy: -132.221
flat angles C4'-P-C4' energy: -161.287
flat angles P-C4'-P energy: -104.882
tors. eta vs tors. theta energy: -202.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2155.285054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.285054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.285054 (E_RNA)
where:
Base-Base interactions energy: -1474.317
where: short stacking energy: -600.300
Base-Backbone interact. energy: -0.532
local terms energy: -680.435583
where:
bonds (distance) C4'-P energy: -127.418
bonds (distance) P-C4' energy: -137.545
flat angles C4'-P-C4' energy: -149.295
flat angles P-C4'-P energy: -97.867
tors. eta vs tors. theta energy: -168.311
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: 3, replica: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2171.940691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.940691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.940691 (E_RNA)
where:
Base-Base interactions energy: -1450.514
where: short stacking energy: -654.284
Base-Backbone interact. energy: -2.605
local terms energy: -718.821969
where:
bonds (distance) C4'-P energy: -135.351
bonds (distance) P-C4' energy: -135.333
flat angles C4'-P-C4' energy: -144.533
flat angles P-C4'-P energy: -104.958
tors. eta vs tors. theta energy: -198.646
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: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2033.027998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.027998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.027998 (E_RNA)
where:
Base-Base interactions energy: -1396.552
where: short stacking energy: -540.994
Base-Backbone interact. energy: 0.803
local terms energy: -637.278766
where:
bonds (distance) C4'-P energy: -121.515
bonds (distance) P-C4' energy: -123.449
flat angles C4'-P-C4' energy: -134.074
flat angles P-C4'-P energy: -95.095
tors. eta vs tors. theta energy: -163.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1947.080785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.080785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.080785 (E_RNA)
where:
Base-Base interactions energy: -1327.430
where: short stacking energy: -568.502
Base-Backbone interact. energy: -1.369
local terms energy: -618.281475
where:
bonds (distance) C4'-P energy: -115.697
bonds (distance) P-C4' energy: -109.663
flat angles C4'-P-C4' energy: -141.236
flat angles P-C4'-P energy: -90.935
tors. eta vs tors. theta energy: -160.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1730.973712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.973712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.973712 (E_RNA)
where:
Base-Base interactions energy: -1153.406
where: short stacking energy: -506.116
Base-Backbone interact. energy: -1.225
local terms energy: -576.342274
where:
bonds (distance) C4'-P energy: -118.514
bonds (distance) P-C4' energy: -136.987
flat angles C4'-P-C4' energy: -123.393
flat angles P-C4'-P energy: -62.205
tors. eta vs tors. theta energy: -135.243
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: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1556.411930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.411930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.411930 (E_RNA)
where:
Base-Base interactions energy: -1021.881
where: short stacking energy: -456.060
Base-Backbone interact. energy: 2.920
local terms energy: -537.450861
where:
bonds (distance) C4'-P energy: -97.917
bonds (distance) P-C4' energy: -123.447
flat angles C4'-P-C4' energy: -130.046
flat angles P-C4'-P energy: -74.641
tors. eta vs tors. theta energy: -111.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1300.369816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.369816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.369816 (E_RNA)
where:
Base-Base interactions energy: -824.825
where: short stacking energy: -370.732
Base-Backbone interact. energy: 1.126
local terms energy: -476.671210
where:
bonds (distance) C4'-P energy: -99.318
bonds (distance) P-C4' energy: -119.018
flat angles C4'-P-C4' energy: -118.249
flat angles P-C4'-P energy: -68.357
tors. eta vs tors. theta energy: -71.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -843.870562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.870562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.870562 (E_RNA)
where:
Base-Base interactions energy: -466.038
where: short stacking energy: -264.282
Base-Backbone interact. energy: 7.340
local terms energy: -385.173213
where:
bonds (distance) C4'-P energy: -97.144
bonds (distance) P-C4' energy: -112.537
flat angles C4'-P-C4' energy: -108.332
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: -21.218
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: 315
Temperature: 1.350000
Total energy: -791.133001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.133001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.133001 (E_RNA)
where:
Base-Base interactions energy: -375.784
where: short stacking energy: -235.787
Base-Backbone interact. energy: 3.106
local terms energy: -418.455106
where:
bonds (distance) C4'-P energy: -96.313
bonds (distance) P-C4' energy: -114.075
flat angles C4'-P-C4' energy: -126.080
flat angles P-C4'-P energy: -62.274
tors. eta vs tors. theta energy: -19.713
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: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2319.824889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.824889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.824889 (E_RNA)
where:
Base-Base interactions energy: -1587.139
where: short stacking energy: -674.732
Base-Backbone interact. energy: -3.974
local terms energy: -728.711690
where:
bonds (distance) C4'-P energy: -130.780
bonds (distance) P-C4' energy: -139.304
flat angles C4'-P-C4' energy: -153.695
flat angles P-C4'-P energy: -102.832
tors. eta vs tors. theta energy: -202.099
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: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2169.871489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.871489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.871489 (E_RNA)
where:
Base-Base interactions energy: -1508.678
where: short stacking energy: -640.513
Base-Backbone interact. energy: 1.391
local terms energy: -662.584720
where:
bonds (distance) C4'-P energy: -117.568
bonds (distance) P-C4' energy: -137.354
flat angles C4'-P-C4' energy: -148.782
flat angles P-C4'-P energy: -87.574
tors. eta vs tors. theta energy: -171.306
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: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2182.151842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.151842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.151842 (E_RNA)
where:
Base-Base interactions energy: -1508.034
where: short stacking energy: -667.221
Base-Backbone interact. energy: -0.015
local terms energy: -674.102558
where:
bonds (distance) C4'-P energy: -115.769
bonds (distance) P-C4' energy: -115.708
flat angles C4'-P-C4' energy: -152.767
flat angles P-C4'-P energy: -88.304
tors. eta vs tors. theta energy: -201.554
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: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2057.506836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.506836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.506836 (E_RNA)
where:
Base-Base interactions energy: -1419.784
where: short stacking energy: -596.797
Base-Backbone interact. energy: -0.565
local terms energy: -637.157881
where:
bonds (distance) C4'-P energy: -119.580
bonds (distance) P-C4' energy: -118.508
flat angles C4'-P-C4' energy: -137.942
flat angles P-C4'-P energy: -97.087
tors. eta vs tors. theta energy: -164.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1965.154299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.154299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.154299 (E_RNA)
where:
Base-Base interactions energy: -1331.428
where: short stacking energy: -569.583
Base-Backbone interact. energy: 1.645
local terms energy: -635.371192
where:
bonds (distance) C4'-P energy: -122.433
bonds (distance) P-C4' energy: -112.334
flat angles C4'-P-C4' energy: -149.012
flat angles P-C4'-P energy: -95.036
tors. eta vs tors. theta energy: -156.556
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: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1756.641907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.641907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.641907 (E_RNA)
where:
Base-Base interactions energy: -1159.186
where: short stacking energy: -513.403
Base-Backbone interact. energy: 0.238
local terms energy: -597.693367
where:
bonds (distance) C4'-P energy: -133.286
bonds (distance) P-C4' energy: -134.860
flat angles C4'-P-C4' energy: -119.970
flat angles P-C4'-P energy: -65.166
tors. eta vs tors. theta energy: -144.412
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: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1454.088088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.088088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.088088 (E_RNA)
where:
Base-Base interactions energy: -935.605
where: short stacking energy: -433.415
Base-Backbone interact. energy: -2.652
local terms energy: -515.831061
where:
bonds (distance) C4'-P energy: -98.545
bonds (distance) P-C4' energy: -117.846
flat angles C4'-P-C4' energy: -115.126
flat angles P-C4'-P energy: -83.340
tors. eta vs tors. theta energy: -100.973
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: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1359.251794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.251794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.251794 (E_RNA)
where:
Base-Base interactions energy: -838.600
where: short stacking energy: -396.345
Base-Backbone interact. energy: 0.815
local terms energy: -521.466787
where:
bonds (distance) C4'-P energy: -113.875
bonds (distance) P-C4' energy: -119.794
flat angles C4'-P-C4' energy: -127.125
flat angles P-C4'-P energy: -71.905
tors. eta vs tors. theta energy: -88.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -842.714655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.714655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.714655 (E_RNA)
where:
Base-Base interactions energy: -451.575
where: short stacking energy: -241.131
Base-Backbone interact. energy: 1.107
local terms energy: -392.246751
where:
bonds (distance) C4'-P energy: -112.348
bonds (distance) P-C4' energy: -99.295
flat angles C4'-P-C4' energy: -97.031
flat angles P-C4'-P energy: -63.145
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -713.253226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.253226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.253226 (E_RNA)
where:
Base-Base interactions energy: -364.003
where: short stacking energy: -207.942
Base-Backbone interact. energy: 3.403
local terms energy: -352.653235
where:
bonds (distance) C4'-P energy: -117.437
bonds (distance) P-C4' energy: -103.778
flat angles C4'-P-C4' energy: -97.544
flat angles P-C4'-P energy: -38.402
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: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2298.478773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.478773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.478773 (E_RNA)
where:
Base-Base interactions energy: -1575.555
where: short stacking energy: -654.765
Base-Backbone interact. energy: -1.354
local terms energy: -721.569147
where:
bonds (distance) C4'-P energy: -126.621
bonds (distance) P-C4' energy: -146.523
flat angles C4'-P-C4' energy: -150.295
flat angles P-C4'-P energy: -91.826
tors. eta vs tors. theta energy: -206.303
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: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2208.254482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.254482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.254482 (E_RNA)
where:
Base-Base interactions energy: -1544.680
where: short stacking energy: -640.219
Base-Backbone interact. energy: -0.510
local terms energy: -663.064732
where:
bonds (distance) C4'-P energy: -125.509
bonds (distance) P-C4' energy: -123.083
flat angles C4'-P-C4' energy: -140.443
flat angles P-C4'-P energy: -101.453
tors. eta vs tors. theta energy: -172.576
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: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2147.127758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.127758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.127758 (E_RNA)
where:
Base-Base interactions energy: -1462.174
where: short stacking energy: -633.201
Base-Backbone interact. energy: -5.263
local terms energy: -679.690218
where:
bonds (distance) C4'-P energy: -117.161
bonds (distance) P-C4' energy: -132.721
flat angles C4'-P-C4' energy: -152.291
flat angles P-C4'-P energy: -93.720
tors. eta vs tors. theta energy: -183.797
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: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2047.905352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.905352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.905352 (E_RNA)
where:
Base-Base interactions energy: -1396.618
where: short stacking energy: -585.182
Base-Backbone interact. energy: -1.677
local terms energy: -649.611007
where:
bonds (distance) C4'-P energy: -117.589
bonds (distance) P-C4' energy: -125.428
flat angles C4'-P-C4' energy: -146.674
flat angles P-C4'-P energy: -96.640
tors. eta vs tors. theta energy: -163.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2006.712525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.712525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.712525 (E_RNA)
where:
Base-Base interactions energy: -1366.337
where: short stacking energy: -598.778
Base-Backbone interact. energy: -3.359
local terms energy: -637.015884
where:
bonds (distance) C4'-P energy: -124.937
bonds (distance) P-C4' energy: -124.754
flat angles C4'-P-C4' energy: -130.076
flat angles P-C4'-P energy: -85.138
tors. eta vs tors. theta energy: -172.112
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: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1739.130060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.130060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.130060 (E_RNA)
where:
Base-Base interactions energy: -1146.923
where: short stacking energy: -470.086
Base-Backbone interact. energy: -2.857
local terms energy: -589.349930
where:
bonds (distance) C4'-P energy: -115.617
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -123.598
flat angles P-C4'-P energy: -91.888
tors. eta vs tors. theta energy: -121.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1487.282471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.282471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.282471 (E_RNA)
where:
Base-Base interactions energy: -956.838
where: short stacking energy: -425.891
Base-Backbone interact. energy: 1.627
local terms energy: -532.071527
where:
bonds (distance) C4'-P energy: -106.218
bonds (distance) P-C4' energy: -116.070
flat angles C4'-P-C4' energy: -126.721
flat angles P-C4'-P energy: -84.088
tors. eta vs tors. theta energy: -98.974
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: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1304.148297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.148297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.148297 (E_RNA)
where:
Base-Base interactions energy: -828.206
where: short stacking energy: -384.351
Base-Backbone interact. energy: -1.177
local terms energy: -474.765096
where:
bonds (distance) C4'-P energy: -110.167
bonds (distance) P-C4' energy: -106.736
flat angles C4'-P-C4' energy: -114.367
flat angles P-C4'-P energy: -68.452
tors. eta vs tors. theta energy: -75.043
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: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -831.256325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.256325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.256325 (E_RNA)
where:
Base-Base interactions energy: -443.817
where: short stacking energy: -221.126
Base-Backbone interact. energy: -3.139
local terms energy: -384.300256
where:
bonds (distance) C4'-P energy: -93.279
bonds (distance) P-C4' energy: -112.490
flat angles C4'-P-C4' energy: -113.734
flat angles P-C4'-P energy: -56.626
tors. eta vs tors. theta energy: -8.171
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: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -713.862303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.862303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.862303 (E_RNA)
where:
Base-Base interactions energy: -332.521
where: short stacking energy: -202.038
Base-Backbone interact. energy: 2.609
local terms energy: -383.950213
where:
bonds (distance) C4'-P energy: -111.570
bonds (distance) P-C4' energy: -96.842
flat angles C4'-P-C4' energy: -85.602
flat angles P-C4'-P energy: -83.750
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2330.032278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.032278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.032278 (E_RNA)
where:
Base-Base interactions energy: -1619.370
where: short stacking energy: -699.178
Base-Backbone interact. energy: -4.184
local terms energy: -706.478245
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -128.493
flat angles C4'-P-C4' energy: -147.091
flat angles P-C4'-P energy: -99.581
tors. eta vs tors. theta energy: -199.390
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: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2179.361008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.361008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.361008 (E_RNA)
where:
Base-Base interactions energy: -1511.047
where: short stacking energy: -636.067
Base-Backbone interact. energy: -5.254
local terms energy: -663.060204
where:
bonds (distance) C4'-P energy: -118.193
bonds (distance) P-C4' energy: -126.292
flat angles C4'-P-C4' energy: -147.664
flat angles P-C4'-P energy: -98.634
tors. eta vs tors. theta energy: -172.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2156.646435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.646435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.646435 (E_RNA)
where:
Base-Base interactions energy: -1488.460
where: short stacking energy: -644.353
Base-Backbone interact. energy: -1.558
local terms energy: -666.629079
where:
bonds (distance) C4'-P energy: -116.356
bonds (distance) P-C4' energy: -134.698
flat angles C4'-P-C4' energy: -129.521
flat angles P-C4'-P energy: -99.381
tors. eta vs tors. theta energy: -186.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2039.596967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.596967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.596967 (E_RNA)
where:
Base-Base interactions energy: -1380.809
where: short stacking energy: -591.604
Base-Backbone interact. energy: 1.905
local terms energy: -660.693124
where:
bonds (distance) C4'-P energy: -121.328
bonds (distance) P-C4' energy: -129.032
flat angles C4'-P-C4' energy: -143.627
flat angles P-C4'-P energy: -97.478
tors. eta vs tors. theta energy: -169.227
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: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1966.662926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.662926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.662926 (E_RNA)
where:
Base-Base interactions energy: -1334.103
where: short stacking energy: -598.467
Base-Backbone interact. energy: -3.316
local terms energy: -629.244593
where:
bonds (distance) C4'-P energy: -97.071
bonds (distance) P-C4' energy: -136.491
flat angles C4'-P-C4' energy: -145.822
flat angles P-C4'-P energy: -82.658
tors. eta vs tors. theta energy: -167.203
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: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1750.266833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.266833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.266833 (E_RNA)
where:
Base-Base interactions energy: -1176.547
where: short stacking energy: -539.046
Base-Backbone interact. energy: 0.722
local terms energy: -574.441595
where:
bonds (distance) C4'-P energy: -105.669
bonds (distance) P-C4' energy: -124.954
flat angles C4'-P-C4' energy: -120.163
flat angles P-C4'-P energy: -84.997
tors. eta vs tors. theta energy: -138.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1546.263507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.263507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.263507 (E_RNA)
where:
Base-Base interactions energy: -1016.404
where: short stacking energy: -438.872
Base-Backbone interact. energy: -1.873
local terms energy: -527.986635
where:
bonds (distance) C4'-P energy: -100.125
bonds (distance) P-C4' energy: -121.590
flat angles C4'-P-C4' energy: -126.127
flat angles P-C4'-P energy: -76.009
tors. eta vs tors. theta energy: -104.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1309.663698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.663698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.663698 (E_RNA)
where:
Base-Base interactions energy: -827.340
where: short stacking energy: -378.099
Base-Backbone interact. energy: -1.246
local terms energy: -481.077707
where:
bonds (distance) C4'-P energy: -118.661
bonds (distance) P-C4' energy: -116.191
flat angles C4'-P-C4' energy: -90.623
flat angles P-C4'-P energy: -77.456
tors. eta vs tors. theta energy: -78.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -828.839655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.839655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.839655 (E_RNA)
where:
Base-Base interactions energy: -455.769
where: short stacking energy: -239.285
Base-Backbone interact. energy: -2.800
local terms energy: -370.270042
where:
bonds (distance) C4'-P energy: -86.749
bonds (distance) P-C4' energy: -108.514
flat angles C4'-P-C4' energy: -102.740
flat angles P-C4'-P energy: -67.587
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -749.346254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.346254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.346254 (E_RNA)
where:
Base-Base interactions energy: -382.336
where: short stacking energy: -208.590
Base-Backbone interact. energy: 0.672
local terms energy: -367.682276
where:
bonds (distance) C4'-P energy: -112.301
bonds (distance) P-C4' energy: -95.914
flat angles C4'-P-C4' energy: -100.353
flat angles P-C4'-P energy: -52.394
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2297.534138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.534138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.534138 (E_RNA)
where:
Base-Base interactions energy: -1584.009
where: short stacking energy: -674.248
Base-Backbone interact. energy: -0.560
local terms energy: -712.964310
where:
bonds (distance) C4'-P energy: -127.227
bonds (distance) P-C4' energy: -140.479
flat angles C4'-P-C4' energy: -151.944
flat angles P-C4'-P energy: -96.570
tors. eta vs tors. theta energy: -196.743
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: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2176.444599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.444599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.444599 (E_RNA)
where:
Base-Base interactions energy: -1501.443
where: short stacking energy: -605.925
Base-Backbone interact. energy: -0.861
local terms energy: -674.140450
where:
bonds (distance) C4'-P energy: -134.851
bonds (distance) P-C4' energy: -136.468
flat angles C4'-P-C4' energy: -142.425
flat angles P-C4'-P energy: -96.962
tors. eta vs tors. theta energy: -163.434
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: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2141.533125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.533125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.533125 (E_RNA)
where:
Base-Base interactions energy: -1477.439
where: short stacking energy: -627.021
Base-Backbone interact. energy: -0.957
local terms energy: -663.137490
where:
bonds (distance) C4'-P energy: -119.176
bonds (distance) P-C4' energy: -117.778
flat angles C4'-P-C4' energy: -140.810
flat angles P-C4'-P energy: -96.584
tors. eta vs tors. theta energy: -188.790
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2107.209435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.209435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.209435 (E_RNA)
where:
Base-Base interactions energy: -1440.244
where: short stacking energy: -600.455
Base-Backbone interact. energy: -5.272
local terms energy: -661.693090
where:
bonds (distance) C4'-P energy: -134.885
bonds (distance) P-C4' energy: -128.772
flat angles C4'-P-C4' energy: -129.072
flat angles P-C4'-P energy: -79.903
tors. eta vs tors. theta energy: -189.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1965.200372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.200372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.200372 (E_RNA)
where:
Base-Base interactions energy: -1339.086
where: short stacking energy: -610.026
Base-Backbone interact. energy: -0.043
local terms energy: -626.071386
where:
bonds (distance) C4'-P energy: -112.422
bonds (distance) P-C4' energy: -117.059
flat angles C4'-P-C4' energy: -141.842
flat angles P-C4'-P energy: -87.625
tors. eta vs tors. theta energy: -167.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1761.514563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.514563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.514563 (E_RNA)
where:
Base-Base interactions energy: -1176.068
where: short stacking energy: -511.057
Base-Backbone interact. energy: 2.391
local terms energy: -587.838365
where:
bonds (distance) C4'-P energy: -124.040
bonds (distance) P-C4' energy: -124.397
flat angles C4'-P-C4' energy: -123.067
flat angles P-C4'-P energy: -87.803
tors. eta vs tors. theta energy: -128.531
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: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1569.599036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.599036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.599036 (E_RNA)
where:
Base-Base interactions energy: -1022.182
where: short stacking energy: -445.638
Base-Backbone interact. energy: -0.099
local terms energy: -547.317143
where:
bonds (distance) C4'-P energy: -107.231
bonds (distance) P-C4' energy: -108.276
flat angles C4'-P-C4' energy: -127.490
flat angles P-C4'-P energy: -85.127
tors. eta vs tors. theta energy: -119.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1287.766635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.766635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.766635 (E_RNA)
where:
Base-Base interactions energy: -840.798
where: short stacking energy: -388.420
Base-Backbone interact. energy: -1.022
local terms energy: -445.946039
where:
bonds (distance) C4'-P energy: -94.989
bonds (distance) P-C4' energy: -108.036
flat angles C4'-P-C4' energy: -108.404
flat angles P-C4'-P energy: -44.817
tors. eta vs tors. theta energy: -89.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -785.390795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.390795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.390795 (E_RNA)
where:
Base-Base interactions energy: -433.108
where: short stacking energy: -252.523
Base-Backbone interact. energy: 2.002
local terms energy: -354.284418
where:
bonds (distance) C4'-P energy: -97.511
bonds (distance) P-C4' energy: -91.160
flat angles C4'-P-C4' energy: -106.298
flat angles P-C4'-P energy: -48.410
tors. eta vs tors. theta energy: -10.905
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: 319
Temperature: 1.350000
Total energy: -725.740629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.740629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.740629 (E_RNA)
where:
Base-Base interactions energy: -389.715
where: short stacking energy: -235.090
Base-Backbone interact. energy: 1.718
local terms energy: -337.743639
where:
bonds (distance) C4'-P energy: -93.682
bonds (distance) P-C4' energy: -104.820
flat angles C4'-P-C4' energy: -88.794
flat angles P-C4'-P energy: -45.283
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2296.578754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.578754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.578754 (E_RNA)
where:
Base-Base interactions energy: -1567.610
where: short stacking energy: -666.399
Base-Backbone interact. energy: -5.285
local terms energy: -723.683607
where:
bonds (distance) C4'-P energy: -136.748
bonds (distance) P-C4' energy: -138.251
flat angles C4'-P-C4' energy: -146.381
flat angles P-C4'-P energy: -101.505
tors. eta vs tors. theta energy: -200.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2190.612175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.612175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.612175 (E_RNA)
where:
Base-Base interactions energy: -1518.571
where: short stacking energy: -639.321
Base-Backbone interact. energy: -3.073
local terms energy: -668.967743
where:
bonds (distance) C4'-P energy: -112.953
bonds (distance) P-C4' energy: -133.365
flat angles C4'-P-C4' energy: -148.987
flat angles P-C4'-P energy: -95.152
tors. eta vs tors. theta energy: -178.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2186.480634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.480634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.480634 (E_RNA)
where:
Base-Base interactions energy: -1486.186
where: short stacking energy: -649.669
Base-Backbone interact. energy: -2.735
local terms energy: -697.559516
where:
bonds (distance) C4'-P energy: -123.677
bonds (distance) P-C4' energy: -126.033
flat angles C4'-P-C4' energy: -152.840
flat angles P-C4'-P energy: -95.202
tors. eta vs tors. theta energy: -199.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2070.502256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.502256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.502256 (E_RNA)
where:
Base-Base interactions energy: -1447.011
where: short stacking energy: -610.399
Base-Backbone interact. energy: -1.530
local terms energy: -621.961495
where:
bonds (distance) C4'-P energy: -114.531
bonds (distance) P-C4' energy: -122.347
flat angles C4'-P-C4' energy: -130.692
flat angles P-C4'-P energy: -78.813
tors. eta vs tors. theta energy: -175.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1959.728281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.728281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.728281 (E_RNA)
where:
Base-Base interactions energy: -1346.542
where: short stacking energy: -592.468
Base-Backbone interact. energy: 0.850
local terms energy: -614.036400
where:
bonds (distance) C4'-P energy: -100.470
bonds (distance) P-C4' energy: -124.865
flat angles C4'-P-C4' energy: -141.731
flat angles P-C4'-P energy: -87.851
tors. eta vs tors. theta energy: -159.119
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: 320
Temperature: 1.150000
Total energy: -1734.306517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.306517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.306517 (E_RNA)
where:
Base-Base interactions energy: -1171.505
where: short stacking energy: -492.467
Base-Backbone interact. energy: 3.521
local terms energy: -566.322928
where:
bonds (distance) C4'-P energy: -109.017
bonds (distance) P-C4' energy: -120.731
flat angles C4'-P-C4' energy: -141.420
flat angles P-C4'-P energy: -79.070
tors. eta vs tors. theta energy: -116.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1535.594056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.594056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.594056 (E_RNA)
where:
Base-Base interactions energy: -1020.755
where: short stacking energy: -452.449
Base-Backbone interact. energy: -0.875
local terms energy: -513.963482
where:
bonds (distance) C4'-P energy: -105.265
bonds (distance) P-C4' energy: -101.316
flat angles C4'-P-C4' energy: -120.043
flat angles P-C4'-P energy: -64.885
tors. eta vs tors. theta energy: -122.455
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: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1297.677603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.677603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.677603 (E_RNA)
where:
Base-Base interactions energy: -816.089
where: short stacking energy: -386.659
Base-Backbone interact. energy: -1.953
local terms energy: -479.635607
where:
bonds (distance) C4'-P energy: -106.737
bonds (distance) P-C4' energy: -107.541
flat angles C4'-P-C4' energy: -113.950
flat angles P-C4'-P energy: -73.095
tors. eta vs tors. theta energy: -78.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -857.894857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.894857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.894857 (E_RNA)
where:
Base-Base interactions energy: -474.033
where: short stacking energy: -228.305
Base-Backbone interact. energy: 0.153
local terms energy: -384.014938
where:
bonds (distance) C4'-P energy: -95.181
bonds (distance) P-C4' energy: -120.758
flat angles C4'-P-C4' energy: -90.587
flat angles P-C4'-P energy: -56.087
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -761.399350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.399350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.399350 (E_RNA)
where:
Base-Base interactions energy: -382.563
where: short stacking energy: -206.941
Base-Backbone interact. energy: 1.208
local terms energy: -380.043940
where:
bonds (distance) C4'-P energy: -95.042
bonds (distance) P-C4' energy: -115.748
flat angles C4'-P-C4' energy: -101.599
flat angles P-C4'-P energy: -69.883
tors. eta vs tors. theta energy: 2.227
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: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2299.436711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.436711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.436711 (E_RNA)
where:
Base-Base interactions energy: -1594.124
where: short stacking energy: -661.016
Base-Backbone interact. energy: -4.763
local terms energy: -700.549293
where:
bonds (distance) C4'-P energy: -125.205
bonds (distance) P-C4' energy: -126.996
flat angles C4'-P-C4' energy: -145.665
flat angles P-C4'-P energy: -108.955
tors. eta vs tors. theta energy: -193.728
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: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2198.558057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.558057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.558057 (E_RNA)
where:
Base-Base interactions energy: -1523.761
where: short stacking energy: -619.149
Base-Backbone interact. energy: -2.084
local terms energy: -672.712966
where:
bonds (distance) C4'-P energy: -118.685
bonds (distance) P-C4' energy: -140.595
flat angles C4'-P-C4' energy: -139.873
flat angles P-C4'-P energy: -102.407
tors. eta vs tors. theta energy: -171.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2157.652293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.652293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.652293 (E_RNA)
where:
Base-Base interactions energy: -1493.553
where: short stacking energy: -636.527
Base-Backbone interact. energy: -2.062
local terms energy: -662.036842
where:
bonds (distance) C4'-P energy: -118.313
bonds (distance) P-C4' energy: -120.310
flat angles C4'-P-C4' energy: -148.478
flat angles P-C4'-P energy: -91.313
tors. eta vs tors. theta energy: -183.623
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: 321
Temperature: 1.050000
Total energy: -2040.018392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.018392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.018392 (E_RNA)
where:
Base-Base interactions energy: -1397.810
where: short stacking energy: -576.554
Base-Backbone interact. energy: 0.791
local terms energy: -642.999206
where:
bonds (distance) C4'-P energy: -130.277
bonds (distance) P-C4' energy: -117.676
flat angles C4'-P-C4' energy: -145.697
flat angles P-C4'-P energy: -80.571
tors. eta vs tors. theta energy: -168.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1945.626594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.626594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.626594 (E_RNA)
where:
Base-Base interactions energy: -1320.148
where: short stacking energy: -570.766
Base-Backbone interact. energy: -2.836
local terms energy: -622.642698
where:
bonds (distance) C4'-P energy: -116.139
bonds (distance) P-C4' energy: -111.916
flat angles C4'-P-C4' energy: -136.494
flat angles P-C4'-P energy: -90.701
tors. eta vs tors. theta energy: -167.393
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: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1823.340265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.340265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.340265 (E_RNA)
where:
Base-Base interactions energy: -1234.353
where: short stacking energy: -526.592
Base-Backbone interact. energy: -2.551
local terms energy: -586.436684
where:
bonds (distance) C4'-P energy: -99.164
bonds (distance) P-C4' energy: -129.369
flat angles C4'-P-C4' energy: -124.036
flat angles P-C4'-P energy: -90.567
tors. eta vs tors. theta energy: -143.301
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: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1609.438258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.438258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.438258 (E_RNA)
where:
Base-Base interactions energy: -1062.715
where: short stacking energy: -478.613
Base-Backbone interact. energy: -2.562
local terms energy: -544.160620
where:
bonds (distance) C4'-P energy: -93.912
bonds (distance) P-C4' energy: -123.850
flat angles C4'-P-C4' energy: -106.981
flat angles P-C4'-P energy: -91.609
tors. eta vs tors. theta energy: -127.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1279.081825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.081825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.081825 (E_RNA)
where:
Base-Base interactions energy: -849.705
where: short stacking energy: -377.462
Base-Backbone interact. energy: -2.363
local terms energy: -427.013972
where:
bonds (distance) C4'-P energy: -101.795
bonds (distance) P-C4' energy: -101.376
flat angles C4'-P-C4' energy: -92.096
flat angles P-C4'-P energy: -69.071
tors. eta vs tors. theta energy: -62.676
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: 321
Temperature: 1.300000
Total energy: -889.618761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.618761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.618761 (E_RNA)
where:
Base-Base interactions energy: -483.087
where: short stacking energy: -236.624
Base-Backbone interact. energy: -2.415
local terms energy: -404.116616
where:
bonds (distance) C4'-P energy: -94.638
bonds (distance) P-C4' energy: -108.247
flat angles C4'-P-C4' energy: -113.048
flat angles P-C4'-P energy: -62.642
tors. eta vs tors. theta energy: -25.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -728.663479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.663479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.663479 (E_RNA)
where:
Base-Base interactions energy: -361.119
where: short stacking energy: -225.297
Base-Backbone interact. energy: -0.054
local terms energy: -367.490162
where:
bonds (distance) C4'-P energy: -87.233
bonds (distance) P-C4' energy: -113.459
flat angles C4'-P-C4' energy: -100.429
flat angles P-C4'-P energy: -68.506
tors. eta vs tors. theta energy: 2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2308.222818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.222818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.222818 (E_RNA)
where:
Base-Base interactions energy: -1582.363
where: short stacking energy: -657.550
Base-Backbone interact. energy: -4.657
local terms energy: -721.203355
where:
bonds (distance) C4'-P energy: -133.568
bonds (distance) P-C4' energy: -131.696
flat angles C4'-P-C4' energy: -153.403
flat angles P-C4'-P energy: -92.307
tors. eta vs tors. theta energy: -210.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2205.222851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.222851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.222851 (E_RNA)
where:
Base-Base interactions energy: -1548.107
where: short stacking energy: -631.606
Base-Backbone interact. energy: -6.301
local terms energy: -650.814582
where:
bonds (distance) C4'-P energy: -122.119
bonds (distance) P-C4' energy: -128.833
flat angles C4'-P-C4' energy: -134.828
flat angles P-C4'-P energy: -98.544
tors. eta vs tors. theta energy: -166.491
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: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2144.404414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.404414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.404414 (E_RNA)
where:
Base-Base interactions energy: -1473.148
where: short stacking energy: -639.145
Base-Backbone interact. energy: -0.433
local terms energy: -670.823262
where:
bonds (distance) C4'-P energy: -122.208
bonds (distance) P-C4' energy: -124.574
flat angles C4'-P-C4' energy: -140.403
flat angles P-C4'-P energy: -100.661
tors. eta vs tors. theta energy: -182.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2054.474095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.474095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.474095 (E_RNA)
where:
Base-Base interactions energy: -1409.469
where: short stacking energy: -594.467
Base-Backbone interact. energy: -2.032
local terms energy: -642.972906
where:
bonds (distance) C4'-P energy: -122.422
bonds (distance) P-C4' energy: -123.040
flat angles C4'-P-C4' energy: -132.625
flat angles P-C4'-P energy: -93.652
tors. eta vs tors. theta energy: -171.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1969.730483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.730483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.730483 (E_RNA)
where:
Base-Base interactions energy: -1381.714
where: short stacking energy: -585.213
Base-Backbone interact. energy: -0.734
local terms energy: -587.282451
where:
bonds (distance) C4'-P energy: -95.779
bonds (distance) P-C4' energy: -116.606
flat angles C4'-P-C4' energy: -126.385
flat angles P-C4'-P energy: -90.156
tors. eta vs tors. theta energy: -158.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1811.367209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.367209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.367209 (E_RNA)
where:
Base-Base interactions energy: -1214.655
where: short stacking energy: -515.532
Base-Backbone interact. energy: 0.773
local terms energy: -597.485113
where:
bonds (distance) C4'-P energy: -112.019
bonds (distance) P-C4' energy: -124.781
flat angles C4'-P-C4' energy: -126.149
flat angles P-C4'-P energy: -88.850
tors. eta vs tors. theta energy: -145.686
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: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1597.942685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.942685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.942685 (E_RNA)
where:
Base-Base interactions energy: -1087.619
where: short stacking energy: -476.641
Base-Backbone interact. energy: 6.374
local terms energy: -516.697983
where:
bonds (distance) C4'-P energy: -111.019
bonds (distance) P-C4' energy: -114.418
flat angles C4'-P-C4' energy: -99.239
flat angles P-C4'-P energy: -73.241
tors. eta vs tors. theta energy: -118.780
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: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1251.196381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.196381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.196381 (E_RNA)
where:
Base-Base interactions energy: -750.721
where: short stacking energy: -345.656
Base-Backbone interact. energy: -1.758
local terms energy: -498.716799
where:
bonds (distance) C4'-P energy: -134.454
bonds (distance) P-C4' energy: -110.539
flat angles C4'-P-C4' energy: -108.694
flat angles P-C4'-P energy: -77.523
tors. eta vs tors. theta energy: -67.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -900.843188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.843188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.843188 (E_RNA)
where:
Base-Base interactions energy: -492.079
where: short stacking energy: -253.930
Base-Backbone interact. energy: -2.968
local terms energy: -405.796271
where:
bonds (distance) C4'-P energy: -101.536
bonds (distance) P-C4' energy: -108.936
flat angles C4'-P-C4' energy: -109.700
flat angles P-C4'-P energy: -47.053
tors. eta vs tors. theta energy: -38.570
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: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -752.229693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.229693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.229693 (E_RNA)
where:
Base-Base interactions energy: -376.975
where: short stacking energy: -214.880
Base-Backbone interact. energy: -2.716
local terms energy: -372.538729
where:
bonds (distance) C4'-P energy: -99.323
bonds (distance) P-C4' energy: -120.048
flat angles C4'-P-C4' energy: -93.146
flat angles P-C4'-P energy: -54.117
tors. eta vs tors. theta energy: -5.906
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: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2305.059393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.059393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.059393 (E_RNA)
where:
Base-Base interactions energy: -1570.272
where: short stacking energy: -690.509
Base-Backbone interact. energy: -6.520
local terms energy: -728.267468
where:
bonds (distance) C4'-P energy: -133.983
bonds (distance) P-C4' energy: -136.983
flat angles C4'-P-C4' energy: -162.937
flat angles P-C4'-P energy: -96.236
tors. eta vs tors. theta energy: -198.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2200.100739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.100739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.100739 (E_RNA)
where:
Base-Base interactions energy: -1504.889
where: short stacking energy: -683.955
Base-Backbone interact. energy: -1.812
local terms energy: -693.399726
where:
bonds (distance) C4'-P energy: -119.924
bonds (distance) P-C4' energy: -126.639
flat angles C4'-P-C4' energy: -154.235
flat angles P-C4'-P energy: -94.271
tors. eta vs tors. theta energy: -198.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2162.234287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.234287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.234287 (E_RNA)
where:
Base-Base interactions energy: -1516.318
where: short stacking energy: -645.874
Base-Backbone interact. energy: -0.595
local terms energy: -645.321491
where:
bonds (distance) C4'-P energy: -119.520
bonds (distance) P-C4' energy: -109.057
flat angles C4'-P-C4' energy: -140.561
flat angles P-C4'-P energy: -98.749
tors. eta vs tors. theta energy: -177.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2025.697852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.697852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.697852 (E_RNA)
where:
Base-Base interactions energy: -1371.764
where: short stacking energy: -607.024
Base-Backbone interact. energy: -3.489
local terms energy: -650.444537
where:
bonds (distance) C4'-P energy: -125.883
bonds (distance) P-C4' energy: -121.231
flat angles C4'-P-C4' energy: -141.416
flat angles P-C4'-P energy: -89.217
tors. eta vs tors. theta energy: -172.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2008.553881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.553881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.553881 (E_RNA)
where:
Base-Base interactions energy: -1389.652
where: short stacking energy: -573.100
Base-Backbone interact. energy: -0.397
local terms energy: -618.505822
where:
bonds (distance) C4'-P energy: -110.762
bonds (distance) P-C4' energy: -114.297
flat angles C4'-P-C4' energy: -145.659
flat angles P-C4'-P energy: -80.017
tors. eta vs tors. theta energy: -167.770
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: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1775.614029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.614029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.614029 (E_RNA)
where:
Base-Base interactions energy: -1194.811
where: short stacking energy: -495.334
Base-Backbone interact. energy: -1.070
local terms energy: -579.733587
where:
bonds (distance) C4'-P energy: -99.730
bonds (distance) P-C4' energy: -126.014
flat angles C4'-P-C4' energy: -140.540
flat angles P-C4'-P energy: -89.749
tors. eta vs tors. theta energy: -123.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1631.908238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.908238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.908238 (E_RNA)
where:
Base-Base interactions energy: -1063.873
where: short stacking energy: -476.309
Base-Backbone interact. energy: -1.069
local terms energy: -566.965809
where:
bonds (distance) C4'-P energy: -112.603
bonds (distance) P-C4' energy: -131.471
flat angles C4'-P-C4' energy: -123.102
flat angles P-C4'-P energy: -84.714
tors. eta vs tors. theta energy: -115.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1306.869683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.869683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.869683 (E_RNA)
where:
Base-Base interactions energy: -845.551
where: short stacking energy: -396.342
Base-Backbone interact. energy: -0.995
local terms energy: -460.323519
where:
bonds (distance) C4'-P energy: -101.232
bonds (distance) P-C4' energy: -109.881
flat angles C4'-P-C4' energy: -116.802
flat angles P-C4'-P energy: -68.196
tors. eta vs tors. theta energy: -64.213
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: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -892.597158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.597158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.597158 (E_RNA)
where:
Base-Base interactions energy: -520.897
where: short stacking energy: -261.490
Base-Backbone interact. energy: -1.566
local terms energy: -370.134088
where:
bonds (distance) C4'-P energy: -98.326
bonds (distance) P-C4' energy: -102.715
flat angles C4'-P-C4' energy: -107.684
flat angles P-C4'-P energy: -44.209
tors. eta vs tors. theta energy: -17.201
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: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -731.952511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.952511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.952511 (E_RNA)
where:
Base-Base interactions energy: -356.091
where: short stacking energy: -197.405
Base-Backbone interact. energy: -2.102
local terms energy: -373.760326
where:
bonds (distance) C4'-P energy: -100.734
bonds (distance) P-C4' energy: -100.202
flat angles C4'-P-C4' energy: -108.545
flat angles P-C4'-P energy: -45.182
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2316.581466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.581466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.581466 (E_RNA)
where:
Base-Base interactions energy: -1597.549
where: short stacking energy: -671.476
Base-Backbone interact. energy: -3.627
local terms energy: -715.405329
where:
bonds (distance) C4'-P energy: -137.326
bonds (distance) P-C4' energy: -130.418
flat angles C4'-P-C4' energy: -145.190
flat angles P-C4'-P energy: -103.604
tors. eta vs tors. theta energy: -198.868
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: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2224.721286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.721286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.721286 (E_RNA)
where:
Base-Base interactions energy: -1518.370
where: short stacking energy: -664.309
Base-Backbone interact. energy: -1.947
local terms energy: -704.404712
where:
bonds (distance) C4'-P energy: -120.390
bonds (distance) P-C4' energy: -121.432
flat angles C4'-P-C4' energy: -149.557
flat angles P-C4'-P energy: -112.205
tors. eta vs tors. theta energy: -200.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2149.719017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.719017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.719017 (E_RNA)
where:
Base-Base interactions energy: -1495.123
where: short stacking energy: -591.157
Base-Backbone interact. energy: -2.890
local terms energy: -651.706333
where:
bonds (distance) C4'-P energy: -124.098
bonds (distance) P-C4' energy: -127.260
flat angles C4'-P-C4' energy: -141.321
flat angles P-C4'-P energy: -101.814
tors. eta vs tors. theta energy: -157.213
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: 324
Temperature: 1.050000
Total energy: -2020.579679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.579679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.579679 (E_RNA)
where:
Base-Base interactions energy: -1379.170
where: short stacking energy: -620.052
Base-Backbone interact. energy: -0.177
local terms energy: -641.232452
where:
bonds (distance) C4'-P energy: -121.616
bonds (distance) P-C4' energy: -129.016
flat angles C4'-P-C4' energy: -143.845
flat angles P-C4'-P energy: -78.871
tors. eta vs tors. theta energy: -167.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2068.478623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.478623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.478623 (E_RNA)
where:
Base-Base interactions energy: -1444.001
where: short stacking energy: -593.240
Base-Backbone interact. energy: -2.943
local terms energy: -621.534838
where:
bonds (distance) C4'-P energy: -110.347
bonds (distance) P-C4' energy: -132.936
flat angles C4'-P-C4' energy: -136.770
flat angles P-C4'-P energy: -68.903
tors. eta vs tors. theta energy: -172.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1845.396881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.396881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.396881 (E_RNA)
where:
Base-Base interactions energy: -1265.731
where: short stacking energy: -543.763
Base-Backbone interact. energy: 0.112
local terms energy: -579.777735
where:
bonds (distance) C4'-P energy: -106.635
bonds (distance) P-C4' energy: -122.520
flat angles C4'-P-C4' energy: -123.138
flat angles P-C4'-P energy: -89.312
tors. eta vs tors. theta energy: -138.174
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: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1531.654689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.654689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.654689 (E_RNA)
where:
Base-Base interactions energy: -1029.987
where: short stacking energy: -451.595
Base-Backbone interact. energy: -4.552
local terms energy: -497.115909
where:
bonds (distance) C4'-P energy: -104.714
bonds (distance) P-C4' energy: -113.049
flat angles C4'-P-C4' energy: -123.270
flat angles P-C4'-P energy: -64.504
tors. eta vs tors. theta energy: -91.579
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: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1297.821602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.821602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.821602 (E_RNA)
where:
Base-Base interactions energy: -829.192
where: short stacking energy: -366.061
Base-Backbone interact. energy: 3.734
local terms energy: -472.362968
where:
bonds (distance) C4'-P energy: -112.881
bonds (distance) P-C4' energy: -121.903
flat angles C4'-P-C4' energy: -110.242
flat angles P-C4'-P energy: -39.402
tors. eta vs tors. theta energy: -87.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -900.049976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.049976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.049976 (E_RNA)
where:
Base-Base interactions energy: -502.724
where: short stacking energy: -263.383
Base-Backbone interact. energy: 1.173
local terms energy: -398.498796
where:
bonds (distance) C4'-P energy: -79.261
bonds (distance) P-C4' energy: -117.748
flat angles C4'-P-C4' energy: -111.881
flat angles P-C4'-P energy: -60.359
tors. eta vs tors. theta energy: -29.251
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: 324
Temperature: 1.350000
Total energy: -745.488567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.488567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.488567 (E_RNA)
where:
Base-Base interactions energy: -378.843
where: short stacking energy: -222.345
Base-Backbone interact. energy: -1.708
local terms energy: -364.937203
where:
bonds (distance) C4'-P energy: -104.610
bonds (distance) P-C4' energy: -108.848
flat angles C4'-P-C4' energy: -86.364
flat angles P-C4'-P energy: -43.453
tors. eta vs tors. theta energy: -21.663
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: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2337.853440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.853440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.853440 (E_RNA)
where:
Base-Base interactions energy: -1606.687
where: short stacking energy: -685.888
Base-Backbone interact. energy: 1.729
local terms energy: -732.894871
where:
bonds (distance) C4'-P energy: -137.089
bonds (distance) P-C4' energy: -143.141
flat angles C4'-P-C4' energy: -149.281
flat angles P-C4'-P energy: -103.350
tors. eta vs tors. theta energy: -200.034
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: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2222.868360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.868360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.868360 (E_RNA)
where:
Base-Base interactions energy: -1515.018
where: short stacking energy: -647.987
Base-Backbone interact. energy: -3.808
local terms energy: -704.042226
where:
bonds (distance) C4'-P energy: -121.443
bonds (distance) P-C4' energy: -130.103
flat angles C4'-P-C4' energy: -150.309
flat angles P-C4'-P energy: -95.290
tors. eta vs tors. theta energy: -206.898
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: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2123.593689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.593689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.593689 (E_RNA)
where:
Base-Base interactions energy: -1473.233
where: short stacking energy: -603.292
Base-Backbone interact. energy: -4.779
local terms energy: -645.581442
where:
bonds (distance) C4'-P energy: -128.100
bonds (distance) P-C4' energy: -118.314
flat angles C4'-P-C4' energy: -139.527
flat angles P-C4'-P energy: -87.411
tors. eta vs tors. theta energy: -172.229
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: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2058.377415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.377415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.377415 (E_RNA)
where:
Base-Base interactions energy: -1414.151
where: short stacking energy: -606.961
Base-Backbone interact. energy: 1.023
local terms energy: -645.249345
where:
bonds (distance) C4'-P energy: -117.827
bonds (distance) P-C4' energy: -113.002
flat angles C4'-P-C4' energy: -143.108
flat angles P-C4'-P energy: -95.438
tors. eta vs tors. theta energy: -175.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1916.518181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.518181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.518181 (E_RNA)
where:
Base-Base interactions energy: -1300.368
where: short stacking energy: -556.754
Base-Backbone interact. energy: -1.067
local terms energy: -615.082623
where:
bonds (distance) C4'-P energy: -129.451
bonds (distance) P-C4' energy: -118.606
flat angles C4'-P-C4' energy: -136.693
flat angles P-C4'-P energy: -87.342
tors. eta vs tors. theta energy: -142.992
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: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1874.187935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.187935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.187935 (E_RNA)
where:
Base-Base interactions energy: -1288.147
where: short stacking energy: -555.410
Base-Backbone interact. energy: -2.749
local terms energy: -583.291504
where:
bonds (distance) C4'-P energy: -96.648
bonds (distance) P-C4' energy: -106.748
flat angles C4'-P-C4' energy: -120.383
flat angles P-C4'-P energy: -94.906
tors. eta vs tors. theta energy: -164.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1591.109197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.109197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.109197 (E_RNA)
where:
Base-Base interactions energy: -1045.447
where: short stacking energy: -467.417
Base-Backbone interact. energy: 1.453
local terms energy: -547.115074
where:
bonds (distance) C4'-P energy: -111.646
bonds (distance) P-C4' energy: -110.673
flat angles C4'-P-C4' energy: -130.522
flat angles P-C4'-P energy: -76.932
tors. eta vs tors. theta energy: -117.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1318.457003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.457003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.457003 (E_RNA)
where:
Base-Base interactions energy: -842.946
where: short stacking energy: -397.306
Base-Backbone interact. energy: 6.318
local terms energy: -481.828770
where:
bonds (distance) C4'-P energy: -110.649
bonds (distance) P-C4' energy: -112.941
flat angles C4'-P-C4' energy: -111.229
flat angles P-C4'-P energy: -75.033
tors. eta vs tors. theta energy: -71.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -864.558641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.558641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.558641 (E_RNA)
where:
Base-Base interactions energy: -469.942
where: short stacking energy: -234.799
Base-Backbone interact. energy: -2.654
local terms energy: -391.962700
where:
bonds (distance) C4'-P energy: -119.722
bonds (distance) P-C4' energy: -123.171
flat angles C4'-P-C4' energy: -87.107
flat angles P-C4'-P energy: -53.550
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -729.394672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.394672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.394672 (E_RNA)
where:
Base-Base interactions energy: -384.056
where: short stacking energy: -216.889
Base-Backbone interact. energy: 8.275
local terms energy: -353.613148
where:
bonds (distance) C4'-P energy: -95.721
bonds (distance) P-C4' energy: -106.141
flat angles C4'-P-C4' energy: -102.460
flat angles P-C4'-P energy: -55.971
tors. eta vs tors. theta energy: 6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2321.655059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.655059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.655059 (E_RNA)
where:
Base-Base interactions energy: -1593.170
where: short stacking energy: -689.049
Base-Backbone interact. energy: -0.731
local terms energy: -727.754093
where:
bonds (distance) C4'-P energy: -148.895
bonds (distance) P-C4' energy: -128.613
flat angles C4'-P-C4' energy: -157.204
flat angles P-C4'-P energy: -90.012
tors. eta vs tors. theta energy: -203.029
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: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2228.537860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.537860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.537860 (E_RNA)
where:
Base-Base interactions energy: -1521.610
where: short stacking energy: -668.358
Base-Backbone interact. energy: -1.832
local terms energy: -705.095537
where:
bonds (distance) C4'-P energy: -130.021
bonds (distance) P-C4' energy: -117.828
flat angles C4'-P-C4' energy: -147.383
flat angles P-C4'-P energy: -99.867
tors. eta vs tors. theta energy: -209.998
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: 326
Temperature: 1.000000
Total energy: -2145.114100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.114100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.114100 (E_RNA)
where:
Base-Base interactions energy: -1501.839
where: short stacking energy: -610.082
Base-Backbone interact. energy: -3.610
local terms energy: -639.664708
where:
bonds (distance) C4'-P energy: -112.612
bonds (distance) P-C4' energy: -117.404
flat angles C4'-P-C4' energy: -147.914
flat angles P-C4'-P energy: -95.042
tors. eta vs tors. theta energy: -166.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2054.804977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.804977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.804977 (E_RNA)
where:
Base-Base interactions energy: -1405.207
where: short stacking energy: -578.100
Base-Backbone interact. energy: -1.253
local terms energy: -648.344932
where:
bonds (distance) C4'-P energy: -121.748
bonds (distance) P-C4' energy: -121.077
flat angles C4'-P-C4' energy: -142.522
flat angles P-C4'-P energy: -85.318
tors. eta vs tors. theta energy: -177.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1887.910406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.910406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.910406 (E_RNA)
where:
Base-Base interactions energy: -1297.875
where: short stacking energy: -566.553
Base-Backbone interact. energy: -1.286
local terms energy: -588.748950
where:
bonds (distance) C4'-P energy: -128.562
bonds (distance) P-C4' energy: -123.045
flat angles C4'-P-C4' energy: -119.326
flat angles P-C4'-P energy: -64.465
tors. eta vs tors. theta energy: -153.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1912.421119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.421119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.421119 (E_RNA)
where:
Base-Base interactions energy: -1319.585
where: short stacking energy: -561.690
Base-Backbone interact. energy: -0.563
local terms energy: -592.273203
where:
bonds (distance) C4'-P energy: -91.650
bonds (distance) P-C4' energy: -120.277
flat angles C4'-P-C4' energy: -138.516
flat angles P-C4'-P energy: -97.075
tors. eta vs tors. theta energy: -144.756
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: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1545.687506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.687506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.687506 (E_RNA)
where:
Base-Base interactions energy: -1010.878
where: short stacking energy: -428.365
Base-Backbone interact. energy: 3.428
local terms energy: -538.237782
where:
bonds (distance) C4'-P energy: -123.743
bonds (distance) P-C4' energy: -116.850
flat angles C4'-P-C4' energy: -121.902
flat angles P-C4'-P energy: -69.151
tors. eta vs tors. theta energy: -106.591
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: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1255.898588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.898588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.898588 (E_RNA)
where:
Base-Base interactions energy: -802.246
where: short stacking energy: -388.162
Base-Backbone interact. energy: 1.120
local terms energy: -454.773015
where:
bonds (distance) C4'-P energy: -96.285
bonds (distance) P-C4' energy: -98.583
flat angles C4'-P-C4' energy: -106.092
flat angles P-C4'-P energy: -76.193
tors. eta vs tors. theta energy: -77.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -907.294276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.294276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.294276 (E_RNA)
where:
Base-Base interactions energy: -510.487
where: short stacking energy: -267.776
Base-Backbone interact. energy: -2.514
local terms energy: -394.292836
where:
bonds (distance) C4'-P energy: -110.133
bonds (distance) P-C4' energy: -106.093
flat angles C4'-P-C4' energy: -92.884
flat angles P-C4'-P energy: -65.769
tors. eta vs tors. theta energy: -19.415
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: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -736.297959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.297959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.297959 (E_RNA)
where:
Base-Base interactions energy: -346.211
where: short stacking energy: -186.532
Base-Backbone interact. energy: -1.078
local terms energy: -389.008491
where:
bonds (distance) C4'-P energy: -93.795
bonds (distance) P-C4' energy: -110.948
flat angles C4'-P-C4' energy: -104.996
flat angles P-C4'-P energy: -69.043
tors. eta vs tors. theta energy: -10.227
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: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2310.038698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.038698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.038698 (E_RNA)
where:
Base-Base interactions energy: -1560.982
where: short stacking energy: -700.637
Base-Backbone interact. energy: -3.019
local terms energy: -746.037687
where:
bonds (distance) C4'-P energy: -121.371
bonds (distance) P-C4' energy: -145.016
flat angles C4'-P-C4' energy: -154.125
flat angles P-C4'-P energy: -115.982
tors. eta vs tors. theta energy: -209.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2208.380732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.380732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.380732 (E_RNA)
where:
Base-Base interactions energy: -1518.725
where: short stacking energy: -668.937
Base-Backbone interact. energy: 0.199
local terms energy: -689.855043
where:
bonds (distance) C4'-P energy: -131.356
bonds (distance) P-C4' energy: -128.407
flat angles C4'-P-C4' energy: -137.080
flat angles P-C4'-P energy: -99.730
tors. eta vs tors. theta energy: -193.282
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: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2128.630230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.630230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.630230 (E_RNA)
where:
Base-Base interactions energy: -1470.454
where: short stacking energy: -610.325
Base-Backbone interact. energy: -0.796
local terms energy: -657.380826
where:
bonds (distance) C4'-P energy: -120.786
bonds (distance) P-C4' energy: -126.187
flat angles C4'-P-C4' energy: -145.026
flat angles P-C4'-P energy: -97.699
tors. eta vs tors. theta energy: -167.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2041.292848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.292848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.292848 (E_RNA)
where:
Base-Base interactions energy: -1410.067
where: short stacking energy: -576.677
Base-Backbone interact. energy: -2.831
local terms energy: -628.395704
where:
bonds (distance) C4'-P energy: -116.671
bonds (distance) P-C4' energy: -117.155
flat angles C4'-P-C4' energy: -126.616
flat angles P-C4'-P energy: -90.696
tors. eta vs tors. theta energy: -177.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1902.384284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.384284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.384284 (E_RNA)
where:
Base-Base interactions energy: -1299.337
where: short stacking energy: -557.956
Base-Backbone interact. energy: -2.618
local terms energy: -600.429661
where:
bonds (distance) C4'-P energy: -116.456
bonds (distance) P-C4' energy: -115.319
flat angles C4'-P-C4' energy: -125.119
flat angles P-C4'-P energy: -86.686
tors. eta vs tors. theta energy: -156.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1852.656537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.656537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.656537 (E_RNA)
where:
Base-Base interactions energy: -1261.045
where: short stacking energy: -542.242
Base-Backbone interact. energy: -0.937
local terms energy: -590.674250
where:
bonds (distance) C4'-P energy: -113.437
bonds (distance) P-C4' energy: -107.759
flat angles C4'-P-C4' energy: -121.574
flat angles P-C4'-P energy: -94.662
tors. eta vs tors. theta energy: -153.243
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: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1552.553037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.553037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.553037 (E_RNA)
where:
Base-Base interactions energy: -997.640
where: short stacking energy: -440.586
Base-Backbone interact. energy: -0.694
local terms energy: -554.219332
where:
bonds (distance) C4'-P energy: -118.216
bonds (distance) P-C4' energy: -111.035
flat angles C4'-P-C4' energy: -128.101
flat angles P-C4'-P energy: -78.980
tors. eta vs tors. theta energy: -117.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1291.299367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.299367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.299367 (E_RNA)
where:
Base-Base interactions energy: -795.641
where: short stacking energy: -360.514
Base-Backbone interact. energy: -2.631
local terms energy: -493.027507
where:
bonds (distance) C4'-P energy: -101.697
bonds (distance) P-C4' energy: -129.433
flat angles C4'-P-C4' energy: -110.933
flat angles P-C4'-P energy: -69.332
tors. eta vs tors. theta energy: -81.632
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: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -954.168106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.168106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.168106 (E_RNA)
where:
Base-Base interactions energy: -554.917
where: short stacking energy: -268.990
Base-Backbone interact. energy: 1.833
local terms energy: -401.083956
where:
bonds (distance) C4'-P energy: -92.706
bonds (distance) P-C4' energy: -111.082
flat angles C4'-P-C4' energy: -112.644
flat angles P-C4'-P energy: -55.393
tors. eta vs tors. theta energy: -29.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -738.416615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.416615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.416615 (E_RNA)
where:
Base-Base interactions energy: -393.789
where: short stacking energy: -219.602
Base-Backbone interact. energy: 3.446
local terms energy: -348.074133
where:
bonds (distance) C4'-P energy: -108.777
bonds (distance) P-C4' energy: -88.703
flat angles C4'-P-C4' energy: -91.275
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -1.387
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: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2318.239307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.239307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.239307 (E_RNA)
where:
Base-Base interactions energy: -1573.495
where: short stacking energy: -692.553
Base-Backbone interact. energy: -2.749
local terms energy: -741.995738
where:
bonds (distance) C4'-P energy: -141.636
bonds (distance) P-C4' energy: -129.503
flat angles C4'-P-C4' energy: -163.625
flat angles P-C4'-P energy: -106.921
tors. eta vs tors. theta energy: -200.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2253.060707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.060707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.060707 (E_RNA)
where:
Base-Base interactions energy: -1534.579
where: short stacking energy: -697.497
Base-Backbone interact. energy: -3.092
local terms energy: -715.389670
where:
bonds (distance) C4'-P energy: -126.642
bonds (distance) P-C4' energy: -132.829
flat angles C4'-P-C4' energy: -148.018
flat angles P-C4'-P energy: -104.476
tors. eta vs tors. theta energy: -203.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2134.865073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.865073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.865073 (E_RNA)
where:
Base-Base interactions energy: -1499.485
where: short stacking energy: -643.102
Base-Backbone interact. energy: 0.050
local terms energy: -635.429666
where:
bonds (distance) C4'-P energy: -118.858
bonds (distance) P-C4' energy: -118.839
flat angles C4'-P-C4' energy: -143.411
flat angles P-C4'-P energy: -85.818
tors. eta vs tors. theta energy: -168.503
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: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2026.576913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.576913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.576913 (E_RNA)
where:
Base-Base interactions energy: -1396.980
where: short stacking energy: -598.837
Base-Backbone interact. energy: 0.186
local terms energy: -629.782091
where:
bonds (distance) C4'-P energy: -117.584
bonds (distance) P-C4' energy: -115.926
flat angles C4'-P-C4' energy: -149.219
flat angles P-C4'-P energy: -75.160
tors. eta vs tors. theta energy: -171.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1916.121269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.121269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.121269 (E_RNA)
where:
Base-Base interactions energy: -1310.613
where: short stacking energy: -563.036
Base-Backbone interact. energy: -0.791
local terms energy: -604.717593
where:
bonds (distance) C4'-P energy: -111.300
bonds (distance) P-C4' energy: -125.672
flat angles C4'-P-C4' energy: -129.077
flat angles P-C4'-P energy: -78.584
tors. eta vs tors. theta energy: -160.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1866.538916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.538916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.538916 (E_RNA)
where:
Base-Base interactions energy: -1253.062
where: short stacking energy: -540.852
Base-Backbone interact. energy: -2.399
local terms energy: -611.077814
where:
bonds (distance) C4'-P energy: -115.114
bonds (distance) P-C4' energy: -118.795
flat angles C4'-P-C4' energy: -139.325
flat angles P-C4'-P energy: -91.523
tors. eta vs tors. theta energy: -146.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1528.061292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.061292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.061292 (E_RNA)
where:
Base-Base interactions energy: -1011.333
where: short stacking energy: -468.324
Base-Backbone interact. energy: -2.079
local terms energy: -514.649531
where:
bonds (distance) C4'-P energy: -93.827
bonds (distance) P-C4' energy: -113.513
flat angles C4'-P-C4' energy: -110.226
flat angles P-C4'-P energy: -74.119
tors. eta vs tors. theta energy: -122.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1269.351548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.351548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.351548 (E_RNA)
where:
Base-Base interactions energy: -784.943
where: short stacking energy: -369.251
Base-Backbone interact. energy: -2.027
local terms energy: -482.381864
where:
bonds (distance) C4'-P energy: -114.057
bonds (distance) P-C4' energy: -106.483
flat angles C4'-P-C4' energy: -138.499
flat angles P-C4'-P energy: -66.867
tors. eta vs tors. theta energy: -56.476
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: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -959.614169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.614169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.614169 (E_RNA)
where:
Base-Base interactions energy: -561.033
where: short stacking energy: -280.128
Base-Backbone interact. energy: -1.513
local terms energy: -397.068207
where:
bonds (distance) C4'-P energy: -93.613
bonds (distance) P-C4' energy: -108.813
flat angles C4'-P-C4' energy: -104.247
flat angles P-C4'-P energy: -58.053
tors. eta vs tors. theta energy: -32.342
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: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -752.571020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.571020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.571020 (E_RNA)
where:
Base-Base interactions energy: -395.129
where: short stacking energy: -208.086
Base-Backbone interact. energy: -1.678
local terms energy: -355.764267
where:
bonds (distance) C4'-P energy: -85.556
bonds (distance) P-C4' energy: -102.525
flat angles C4'-P-C4' energy: -92.096
flat angles P-C4'-P energy: -67.899
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2313.340346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.340346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.340346 (E_RNA)
where:
Base-Base interactions energy: -1571.297
where: short stacking energy: -714.415
Base-Backbone interact. energy: -2.640
local terms energy: -739.404097
where:
bonds (distance) C4'-P energy: -136.789
bonds (distance) P-C4' energy: -136.713
flat angles C4'-P-C4' energy: -157.037
flat angles P-C4'-P energy: -99.387
tors. eta vs tors. theta energy: -209.477
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: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2244.061480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.061480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.061480 (E_RNA)
where:
Base-Base interactions energy: -1553.289
where: short stacking energy: -692.974
Base-Backbone interact. energy: 0.267
local terms energy: -691.039886
where:
bonds (distance) C4'-P energy: -107.345
bonds (distance) P-C4' energy: -132.076
flat angles C4'-P-C4' energy: -152.045
flat angles P-C4'-P energy: -95.095
tors. eta vs tors. theta energy: -204.479
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: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2120.288186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.288186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.288186 (E_RNA)
where:
Base-Base interactions energy: -1467.046
where: short stacking energy: -629.973
Base-Backbone interact. energy: -3.775
local terms energy: -649.466638
where:
bonds (distance) C4'-P energy: -131.532
bonds (distance) P-C4' energy: -114.913
flat angles C4'-P-C4' energy: -150.383
flat angles P-C4'-P energy: -93.467
tors. eta vs tors. theta energy: -159.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2052.164758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.164758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.164758 (E_RNA)
where:
Base-Base interactions energy: -1382.508
where: short stacking energy: -594.325
Base-Backbone interact. energy: -2.034
local terms energy: -667.623123
where:
bonds (distance) C4'-P energy: -134.647
bonds (distance) P-C4' energy: -122.356
flat angles C4'-P-C4' energy: -140.202
flat angles P-C4'-P energy: -86.323
tors. eta vs tors. theta energy: -184.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1924.223046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.223046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.223046 (E_RNA)
where:
Base-Base interactions energy: -1276.975
where: short stacking energy: -535.036
Base-Backbone interact. energy: -4.301
local terms energy: -642.946748
where:
bonds (distance) C4'-P energy: -129.862
bonds (distance) P-C4' energy: -126.665
flat angles C4'-P-C4' energy: -147.897
flat angles P-C4'-P energy: -87.926
tors. eta vs tors. theta energy: -150.596
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: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1853.616489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.616489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.616489 (E_RNA)
where:
Base-Base interactions energy: -1231.191
where: short stacking energy: -544.463
Base-Backbone interact. energy: 0.811
local terms energy: -623.236592
where:
bonds (distance) C4'-P energy: -118.110
bonds (distance) P-C4' energy: -126.680
flat angles C4'-P-C4' energy: -131.996
flat angles P-C4'-P energy: -94.155
tors. eta vs tors. theta energy: -152.295
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: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1539.793126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.793126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.793126 (E_RNA)
where:
Base-Base interactions energy: -1015.664
where: short stacking energy: -481.255
Base-Backbone interact. energy: -0.483
local terms energy: -523.645688
where:
bonds (distance) C4'-P energy: -105.571
bonds (distance) P-C4' energy: -106.488
flat angles C4'-P-C4' energy: -132.752
flat angles P-C4'-P energy: -70.519
tors. eta vs tors. theta energy: -108.315
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: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1266.106464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.106464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.106464 (E_RNA)
where:
Base-Base interactions energy: -779.609
where: short stacking energy: -386.811
Base-Backbone interact. energy: 5.074
local terms energy: -491.570911
where:
bonds (distance) C4'-P energy: -107.714
bonds (distance) P-C4' energy: -131.477
flat angles C4'-P-C4' energy: -112.008
flat angles P-C4'-P energy: -65.355
tors. eta vs tors. theta energy: -75.017
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: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -982.085319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.085319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.085319 (E_RNA)
where:
Base-Base interactions energy: -555.827
where: short stacking energy: -294.262
Base-Backbone interact. energy: 0.764
local terms energy: -427.021524
where:
bonds (distance) C4'-P energy: -98.400
bonds (distance) P-C4' energy: -117.838
flat angles C4'-P-C4' energy: -100.969
flat angles P-C4'-P energy: -62.009
tors. eta vs tors. theta energy: -47.804
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: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -709.804435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.804435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.804435 (E_RNA)
where:
Base-Base interactions energy: -344.078
where: short stacking energy: -164.583
Base-Backbone interact. energy: -3.295
local terms energy: -362.431221
where:
bonds (distance) C4'-P energy: -110.332
bonds (distance) P-C4' energy: -112.237
flat angles C4'-P-C4' energy: -87.802
flat angles P-C4'-P energy: -47.487
tors. eta vs tors. theta energy: -4.572
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: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2280.430303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.430303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.430303 (E_RNA)
where:
Base-Base interactions energy: -1563.708
where: short stacking energy: -701.198
Base-Backbone interact. energy: -2.562
local terms energy: -714.160621
where:
bonds (distance) C4'-P energy: -130.201
bonds (distance) P-C4' energy: -135.724
flat angles C4'-P-C4' energy: -143.957
flat angles P-C4'-P energy: -100.135
tors. eta vs tors. theta energy: -204.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2275.284977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.284977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.284977 (E_RNA)
where:
Base-Base interactions energy: -1574.116
where: short stacking energy: -699.969
Base-Backbone interact. energy: -4.579
local terms energy: -696.589966
where:
bonds (distance) C4'-P energy: -117.678
bonds (distance) P-C4' energy: -130.316
flat angles C4'-P-C4' energy: -146.220
flat angles P-C4'-P energy: -105.405
tors. eta vs tors. theta energy: -196.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2126.121469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.121469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.121469 (E_RNA)
where:
Base-Base interactions energy: -1478.409
where: short stacking energy: -616.156
Base-Backbone interact. energy: -1.737
local terms energy: -645.974971
where:
bonds (distance) C4'-P energy: -117.036
bonds (distance) P-C4' energy: -126.928
flat angles C4'-P-C4' energy: -148.131
flat angles P-C4'-P energy: -93.814
tors. eta vs tors. theta energy: -160.066
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: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2063.395259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.395259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.395259 (E_RNA)
where:
Base-Base interactions energy: -1392.750
where: short stacking energy: -576.945
Base-Backbone interact. energy: -2.731
local terms energy: -667.915187
where:
bonds (distance) C4'-P energy: -128.019
bonds (distance) P-C4' energy: -125.165
flat angles C4'-P-C4' energy: -147.141
flat angles P-C4'-P energy: -95.033
tors. eta vs tors. theta energy: -172.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1914.218067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.218067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.218067 (E_RNA)
where:
Base-Base interactions energy: -1308.775
where: short stacking energy: -586.089
Base-Backbone interact. energy: -1.506
local terms energy: -603.937031
where:
bonds (distance) C4'-P energy: -79.383
bonds (distance) P-C4' energy: -125.045
flat angles C4'-P-C4' energy: -144.947
flat angles P-C4'-P energy: -81.440
tors. eta vs tors. theta energy: -173.121
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: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1844.328837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.328837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.328837 (E_RNA)
where:
Base-Base interactions energy: -1278.110
where: short stacking energy: -554.617
Base-Backbone interact. energy: 4.838
local terms energy: -571.057003
where:
bonds (distance) C4'-P energy: -109.270
bonds (distance) P-C4' energy: -99.307
flat angles C4'-P-C4' energy: -140.896
flat angles P-C4'-P energy: -67.961
tors. eta vs tors. theta energy: -153.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1510.130973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.130973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.130973 (E_RNA)
where:
Base-Base interactions energy: -1014.894
where: short stacking energy: -432.562
Base-Backbone interact. energy: 3.890
local terms energy: -499.126458
where:
bonds (distance) C4'-P energy: -80.477
bonds (distance) P-C4' energy: -109.736
flat angles C4'-P-C4' energy: -124.189
flat angles P-C4'-P energy: -80.672
tors. eta vs tors. theta energy: -104.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1288.866106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.866106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.866106 (E_RNA)
where:
Base-Base interactions energy: -834.642
where: short stacking energy: -361.218
Base-Backbone interact. energy: 0.263
local terms energy: -454.487329
where:
bonds (distance) C4'-P energy: -97.782
bonds (distance) P-C4' energy: -111.062
flat angles C4'-P-C4' energy: -120.656
flat angles P-C4'-P energy: -67.752
tors. eta vs tors. theta energy: -57.235
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: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -899.545008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.545008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.545008 (E_RNA)
where:
Base-Base interactions energy: -502.054
where: short stacking energy: -230.199
Base-Backbone interact. energy: -4.251
local terms energy: -393.239432
where:
bonds (distance) C4'-P energy: -102.956
bonds (distance) P-C4' energy: -119.513
flat angles C4'-P-C4' energy: -106.606
flat angles P-C4'-P energy: -58.164
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: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -800.340279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.340279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.340279 (E_RNA)
where:
Base-Base interactions energy: -418.346
where: short stacking energy: -195.106
Base-Backbone interact. energy: 1.123
local terms energy: -383.117253
where:
bonds (distance) C4'-P energy: -106.767
bonds (distance) P-C4' energy: -116.772
flat angles C4'-P-C4' energy: -96.522
flat angles P-C4'-P energy: -54.339
tors. eta vs tors. theta energy: -8.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2288.547209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.547209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.547209 (E_RNA)
where:
Base-Base interactions energy: -1548.467
where: short stacking energy: -686.177
Base-Backbone interact. energy: -2.520
local terms energy: -737.560419
where:
bonds (distance) C4'-P energy: -134.162
bonds (distance) P-C4' energy: -137.247
flat angles C4'-P-C4' energy: -142.417
flat angles P-C4'-P energy: -109.448
tors. eta vs tors. theta energy: -214.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2242.138329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.138329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.138329 (E_RNA)
where:
Base-Base interactions energy: -1527.527
where: short stacking energy: -650.683
Base-Backbone interact. energy: -1.679
local terms energy: -712.931697
where:
bonds (distance) C4'-P energy: -126.973
bonds (distance) P-C4' energy: -146.485
flat angles C4'-P-C4' energy: -153.393
flat angles P-C4'-P energy: -85.924
tors. eta vs tors. theta energy: -200.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2150.146646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.146646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.146646 (E_RNA)
where:
Base-Base interactions energy: -1494.770
where: short stacking energy: -610.901
Base-Backbone interact. energy: -4.908
local terms energy: -650.468645
where:
bonds (distance) C4'-P energy: -116.590
bonds (distance) P-C4' energy: -130.195
flat angles C4'-P-C4' energy: -147.002
flat angles P-C4'-P energy: -92.710
tors. eta vs tors. theta energy: -163.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2044.128778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.128778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.128778 (E_RNA)
where:
Base-Base interactions energy: -1399.113
where: short stacking energy: -595.334
Base-Backbone interact. energy: -3.636
local terms energy: -641.380461
where:
bonds (distance) C4'-P energy: -122.024
bonds (distance) P-C4' energy: -131.781
flat angles C4'-P-C4' energy: -131.161
flat angles P-C4'-P energy: -84.235
tors. eta vs tors. theta energy: -172.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1934.593825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.593825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.593825 (E_RNA)
where:
Base-Base interactions energy: -1278.127
where: short stacking energy: -564.422
Base-Backbone interact. energy: 1.415
local terms energy: -657.881941
where:
bonds (distance) C4'-P energy: -125.408
bonds (distance) P-C4' energy: -128.772
flat angles C4'-P-C4' energy: -146.896
flat angles P-C4'-P energy: -94.687
tors. eta vs tors. theta energy: -162.120
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: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1811.120135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.120135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.120135 (E_RNA)
where:
Base-Base interactions energy: -1241.508
where: short stacking energy: -521.223
Base-Backbone interact. energy: -0.597
local terms energy: -569.015205
where:
bonds (distance) C4'-P energy: -107.452
bonds (distance) P-C4' energy: -109.052
flat angles C4'-P-C4' energy: -130.593
flat angles P-C4'-P energy: -70.839
tors. eta vs tors. theta energy: -151.079
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: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1533.714028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.714028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.714028 (E_RNA)
where:
Base-Base interactions energy: -999.319
where: short stacking energy: -446.456
Base-Backbone interact. energy: 0.993
local terms energy: -535.387487
where:
bonds (distance) C4'-P energy: -105.550
bonds (distance) P-C4' energy: -104.662
flat angles C4'-P-C4' energy: -125.481
flat angles P-C4'-P energy: -95.071
tors. eta vs tors. theta energy: -104.623
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: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1276.032361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.032361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.032361 (E_RNA)
where:
Base-Base interactions energy: -801.453
where: short stacking energy: -361.889
Base-Backbone interact. energy: 0.112
local terms energy: -474.690756
where:
bonds (distance) C4'-P energy: -92.039
bonds (distance) P-C4' energy: -115.747
flat angles C4'-P-C4' energy: -125.087
flat angles P-C4'-P energy: -59.234
tors. eta vs tors. theta energy: -82.584
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: 331
Temperature: 1.300000
Total energy: -924.398922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.398922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.398922 (E_RNA)
where:
Base-Base interactions energy: -501.390
where: short stacking energy: -256.537
Base-Backbone interact. energy: 0.471
local terms energy: -423.479400
where:
bonds (distance) C4'-P energy: -97.585
bonds (distance) P-C4' energy: -114.310
flat angles C4'-P-C4' energy: -113.686
flat angles P-C4'-P energy: -66.096
tors. eta vs tors. theta energy: -31.803
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: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -760.861866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.861866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.861866 (E_RNA)
where:
Base-Base interactions energy: -383.554
where: short stacking energy: -223.762
Base-Backbone interact. energy: 5.939
local terms energy: -383.246694
where:
bonds (distance) C4'-P energy: -106.096
bonds (distance) P-C4' energy: -134.708
flat angles C4'-P-C4' energy: -94.047
flat angles P-C4'-P energy: -32.330
tors. eta vs tors. theta energy: -16.065
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: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2291.102006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.102006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.102006 (E_RNA)
where:
Base-Base interactions energy: -1544.621
where: short stacking energy: -701.966
Base-Backbone interact. energy: -3.827
local terms energy: -742.653521
where:
bonds (distance) C4'-P energy: -132.408
bonds (distance) P-C4' energy: -135.971
flat angles C4'-P-C4' energy: -154.788
flat angles P-C4'-P energy: -110.275
tors. eta vs tors. theta energy: -209.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2243.569641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.569641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.569641 (E_RNA)
where:
Base-Base interactions energy: -1536.400
where: short stacking energy: -689.700
Base-Backbone interact. energy: 1.379
local terms energy: -708.549111
where:
bonds (distance) C4'-P energy: -116.419
bonds (distance) P-C4' energy: -138.235
flat angles C4'-P-C4' energy: -147.437
flat angles P-C4'-P energy: -104.710
tors. eta vs tors. theta energy: -201.747
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: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2160.129180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.129180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.129180 (E_RNA)
where:
Base-Base interactions energy: -1489.909
where: short stacking energy: -615.088
Base-Backbone interact. energy: -3.865
local terms energy: -666.354541
where:
bonds (distance) C4'-P energy: -132.749
bonds (distance) P-C4' energy: -139.133
flat angles C4'-P-C4' energy: -136.036
flat angles P-C4'-P energy: -90.178
tors. eta vs tors. theta energy: -168.260
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: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2023.646169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.646169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.646169 (E_RNA)
where:
Base-Base interactions energy: -1409.741
where: short stacking energy: -578.372
Base-Backbone interact. energy: -0.354
local terms energy: -613.550444
where:
bonds (distance) C4'-P energy: -110.013
bonds (distance) P-C4' energy: -127.760
flat angles C4'-P-C4' energy: -126.118
flat angles P-C4'-P energy: -88.780
tors. eta vs tors. theta energy: -160.878
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: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1931.262018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.262018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.262018 (E_RNA)
where:
Base-Base interactions energy: -1310.965
where: short stacking energy: -569.191
Base-Backbone interact. energy: -0.834
local terms energy: -619.463475
where:
bonds (distance) C4'-P energy: -110.122
bonds (distance) P-C4' energy: -109.739
flat angles C4'-P-C4' energy: -140.807
flat angles P-C4'-P energy: -91.725
tors. eta vs tors. theta energy: -167.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1786.454834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.454834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.454834 (E_RNA)
where:
Base-Base interactions energy: -1220.122
where: short stacking energy: -528.618
Base-Backbone interact. energy: -2.306
local terms energy: -564.027509
where:
bonds (distance) C4'-P energy: -103.831
bonds (distance) P-C4' energy: -108.918
flat angles C4'-P-C4' energy: -123.668
flat angles P-C4'-P energy: -82.168
tors. eta vs tors. theta energy: -145.442
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: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1509.862778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.862778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.862778 (E_RNA)
where:
Base-Base interactions energy: -986.687
where: short stacking energy: -452.636
Base-Backbone interact. energy: -4.041
local terms energy: -519.134154
where:
bonds (distance) C4'-P energy: -110.787
bonds (distance) P-C4' energy: -111.919
flat angles C4'-P-C4' energy: -124.287
flat angles P-C4'-P energy: -62.184
tors. eta vs tors. theta energy: -109.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1257.406028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.406028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.406028 (E_RNA)
where:
Base-Base interactions energy: -783.477
where: short stacking energy: -364.113
Base-Backbone interact. energy: -3.151
local terms energy: -470.777694
where:
bonds (distance) C4'-P energy: -101.855
bonds (distance) P-C4' energy: -109.745
flat angles C4'-P-C4' energy: -110.118
flat angles P-C4'-P energy: -73.704
tors. eta vs tors. theta energy: -75.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -989.517629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.517629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.517629 (E_RNA)
where:
Base-Base interactions energy: -572.600
where: short stacking energy: -279.083
Base-Backbone interact. energy: 2.152
local terms energy: -419.069702
where:
bonds (distance) C4'-P energy: -106.781
bonds (distance) P-C4' energy: -114.923
flat angles C4'-P-C4' energy: -108.317
flat angles P-C4'-P energy: -63.692
tors. eta vs tors. theta energy: -25.356
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: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -711.441620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.441620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.441620 (E_RNA)
where:
Base-Base interactions energy: -360.044
where: short stacking energy: -177.033
Base-Backbone interact. energy: -1.221
local terms energy: -350.176474
where:
bonds (distance) C4'-P energy: -107.781
bonds (distance) P-C4' energy: -101.536
flat angles C4'-P-C4' energy: -101.155
flat angles P-C4'-P energy: -47.857
tors. eta vs tors. theta energy: 8.152
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: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2266.143939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.143939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.143939 (E_RNA)
where:
Base-Base interactions energy: -1543.977
where: short stacking energy: -695.471
Base-Backbone interact. energy: -3.319
local terms energy: -718.848396
where:
bonds (distance) C4'-P energy: -140.960
bonds (distance) P-C4' energy: -121.752
flat angles C4'-P-C4' energy: -158.721
flat angles P-C4'-P energy: -100.328
tors. eta vs tors. theta energy: -197.087
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: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2233.912429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.912429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.912429 (E_RNA)
where:
Base-Base interactions energy: -1535.536
where: short stacking energy: -668.005
Base-Backbone interact. energy: -1.682
local terms energy: -696.694060
where:
bonds (distance) C4'-P energy: -123.159
bonds (distance) P-C4' energy: -128.290
flat angles C4'-P-C4' energy: -151.615
flat angles P-C4'-P energy: -91.750
tors. eta vs tors. theta energy: -201.881
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: 333
Temperature: 1.000000
Total energy: -2179.568156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.568156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.568156 (E_RNA)
where:
Base-Base interactions energy: -1507.686
where: short stacking energy: -624.909
Base-Backbone interact. energy: -0.752
local terms energy: -671.129290
where:
bonds (distance) C4'-P energy: -129.934
bonds (distance) P-C4' energy: -127.884
flat angles C4'-P-C4' energy: -140.964
flat angles P-C4'-P energy: -94.783
tors. eta vs tors. theta energy: -177.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2031.647235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.647235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.647235 (E_RNA)
where:
Base-Base interactions energy: -1385.528
where: short stacking energy: -579.670
Base-Backbone interact. energy: -1.660
local terms energy: -644.459278
where:
bonds (distance) C4'-P energy: -119.976
bonds (distance) P-C4' energy: -130.711
flat angles C4'-P-C4' energy: -136.506
flat angles P-C4'-P energy: -96.627
tors. eta vs tors. theta energy: -160.640
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: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1924.644193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.644193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.644193 (E_RNA)
where:
Base-Base interactions energy: -1330.869
where: short stacking energy: -537.678
Base-Backbone interact. energy: 0.719
local terms energy: -594.494588
where:
bonds (distance) C4'-P energy: -117.996
bonds (distance) P-C4' energy: -105.603
flat angles C4'-P-C4' energy: -129.831
flat angles P-C4'-P energy: -92.601
tors. eta vs tors. theta energy: -148.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1777.259740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.259740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.259740 (E_RNA)
where:
Base-Base interactions energy: -1210.414
where: short stacking energy: -532.745
Base-Backbone interact. energy: 0.177
local terms energy: -567.022878
where:
bonds (distance) C4'-P energy: -101.643
bonds (distance) P-C4' energy: -120.656
flat angles C4'-P-C4' energy: -128.234
flat angles P-C4'-P energy: -79.616
tors. eta vs tors. theta energy: -136.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1573.044102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.044102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.044102 (E_RNA)
where:
Base-Base interactions energy: -1061.293
where: short stacking energy: -482.635
Base-Backbone interact. energy: 3.603
local terms energy: -515.354267
where:
bonds (distance) C4'-P energy: -97.691
bonds (distance) P-C4' energy: -99.200
flat angles C4'-P-C4' energy: -121.595
flat angles P-C4'-P energy: -71.892
tors. eta vs tors. theta energy: -124.978
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: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1267.360108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.360108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.360108 (E_RNA)
where:
Base-Base interactions energy: -791.146
where: short stacking energy: -360.902
Base-Backbone interact. energy: -4.190
local terms energy: -472.023468
where:
bonds (distance) C4'-P energy: -103.439
bonds (distance) P-C4' energy: -119.417
flat angles C4'-P-C4' energy: -108.427
flat angles P-C4'-P energy: -72.139
tors. eta vs tors. theta energy: -68.601
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: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1011.707582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.707582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.707582 (E_RNA)
where:
Base-Base interactions energy: -619.518
where: short stacking energy: -287.839
Base-Backbone interact. energy: 2.910
local terms energy: -395.099450
where:
bonds (distance) C4'-P energy: -108.046
bonds (distance) P-C4' energy: -103.244
flat angles C4'-P-C4' energy: -96.371
flat angles P-C4'-P energy: -47.416
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: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -733.048210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.048210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.048210 (E_RNA)
where:
Base-Base interactions energy: -357.074
where: short stacking energy: -205.007
Base-Backbone interact. energy: -4.083
local terms energy: -371.891085
where:
bonds (distance) C4'-P energy: -100.568
bonds (distance) P-C4' energy: -100.509
flat angles C4'-P-C4' energy: -97.780
flat angles P-C4'-P energy: -75.104
tors. eta vs tors. theta energy: 2.070
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: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2279.595177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.595177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.595177 (E_RNA)
where:
Base-Base interactions energy: -1545.310
where: short stacking energy: -689.930
Base-Backbone interact. energy: -2.116
local terms energy: -732.168800
where:
bonds (distance) C4'-P energy: -137.252
bonds (distance) P-C4' energy: -127.629
flat angles C4'-P-C4' energy: -152.849
flat angles P-C4'-P energy: -108.371
tors. eta vs tors. theta energy: -206.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2256.217267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.217267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.217267 (E_RNA)
where:
Base-Base interactions energy: -1543.317
where: short stacking energy: -681.715
Base-Backbone interact. energy: -1.150
local terms energy: -711.750258
where:
bonds (distance) C4'-P energy: -121.515
bonds (distance) P-C4' energy: -137.263
flat angles C4'-P-C4' energy: -148.897
flat angles P-C4'-P energy: -94.712
tors. eta vs tors. theta energy: -209.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2154.413367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.413367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.413367 (E_RNA)
where:
Base-Base interactions energy: -1488.177
where: short stacking energy: -636.431
Base-Backbone interact. energy: 1.035
local terms energy: -667.272040
where:
bonds (distance) C4'-P energy: -120.583
bonds (distance) P-C4' energy: -130.518
flat angles C4'-P-C4' energy: -152.280
flat angles P-C4'-P energy: -81.675
tors. eta vs tors. theta energy: -182.216
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: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2039.008785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.008785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.008785 (E_RNA)
where:
Base-Base interactions energy: -1399.990
where: short stacking energy: -604.436
Base-Backbone interact. energy: 0.837
local terms energy: -639.856319
where:
bonds (distance) C4'-P energy: -107.354
bonds (distance) P-C4' energy: -124.943
flat angles C4'-P-C4' energy: -139.313
flat angles P-C4'-P energy: -94.340
tors. eta vs tors. theta energy: -173.906
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: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1922.354051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.354051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.354051 (E_RNA)
where:
Base-Base interactions energy: -1320.191
where: short stacking energy: -542.527
Base-Backbone interact. energy: -2.295
local terms energy: -599.867398
where:
bonds (distance) C4'-P energy: -118.736
bonds (distance) P-C4' energy: -108.329
flat angles C4'-P-C4' energy: -132.485
flat angles P-C4'-P energy: -90.688
tors. eta vs tors. theta energy: -149.630
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: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1797.293858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.293858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.293858 (E_RNA)
where:
Base-Base interactions energy: -1209.893
where: short stacking energy: -520.187
Base-Backbone interact. energy: -0.132
local terms energy: -587.268608
where:
bonds (distance) C4'-P energy: -116.589
bonds (distance) P-C4' energy: -107.053
flat angles C4'-P-C4' energy: -128.030
flat angles P-C4'-P energy: -85.543
tors. eta vs tors. theta energy: -150.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1596.027493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.027493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.027493 (E_RNA)
where:
Base-Base interactions energy: -1035.371
where: short stacking energy: -458.830
Base-Backbone interact. energy: -0.201
local terms energy: -560.455697
where:
bonds (distance) C4'-P energy: -119.680
bonds (distance) P-C4' energy: -110.926
flat angles C4'-P-C4' energy: -125.551
flat angles P-C4'-P energy: -81.679
tors. eta vs tors. theta energy: -122.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1296.644836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.644836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.644836 (E_RNA)
where:
Base-Base interactions energy: -813.012
where: short stacking energy: -369.217
Base-Backbone interact. energy: -0.882
local terms energy: -482.750543
where:
bonds (distance) C4'-P energy: -107.828
bonds (distance) P-C4' energy: -119.621
flat angles C4'-P-C4' energy: -100.329
flat angles P-C4'-P energy: -68.610
tors. eta vs tors. theta energy: -86.362
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: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -926.612267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.612267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.612267 (E_RNA)
where:
Base-Base interactions energy: -496.333
where: short stacking energy: -238.476
Base-Backbone interact. energy: 4.984
local terms energy: -435.263323
where:
bonds (distance) C4'-P energy: -116.543
bonds (distance) P-C4' energy: -126.856
flat angles C4'-P-C4' energy: -118.573
flat angles P-C4'-P energy: -54.674
tors. eta vs tors. theta energy: -18.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -762.083975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.083975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.083975 (E_RNA)
where:
Base-Base interactions energy: -383.882
where: short stacking energy: -235.939
Base-Backbone interact. energy: 4.138
local terms energy: -382.339819
where:
bonds (distance) C4'-P energy: -103.500
bonds (distance) P-C4' energy: -106.936
flat angles C4'-P-C4' energy: -92.004
flat angles P-C4'-P energy: -65.364
tors. eta vs tors. theta energy: -14.536
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: 335
Temperature: 0.900000
Total energy: -2250.240725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.240725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.240725 (E_RNA)
where:
Base-Base interactions energy: -1536.533
where: short stacking energy: -682.446
Base-Backbone interact. energy: -3.783
local terms energy: -709.925281
where:
bonds (distance) C4'-P energy: -128.249
bonds (distance) P-C4' energy: -132.678
flat angles C4'-P-C4' energy: -162.376
flat angles P-C4'-P energy: -95.151
tors. eta vs tors. theta energy: -191.472
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: 335
Temperature: 0.950000
Total energy: -2232.936851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.936851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.936851 (E_RNA)
where:
Base-Base interactions energy: -1539.696
where: short stacking energy: -683.382
Base-Backbone interact. energy: -3.828
local terms energy: -689.412702
where:
bonds (distance) C4'-P energy: -114.160
bonds (distance) P-C4' energy: -136.168
flat angles C4'-P-C4' energy: -133.751
flat angles P-C4'-P energy: -98.303
tors. eta vs tors. theta energy: -207.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2121.876836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.876836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.876836 (E_RNA)
where:
Base-Base interactions energy: -1443.166
where: short stacking energy: -599.038
Base-Backbone interact. energy: -1.652
local terms energy: -677.058781
where:
bonds (distance) C4'-P energy: -113.954
bonds (distance) P-C4' energy: -144.355
flat angles C4'-P-C4' energy: -145.642
flat angles P-C4'-P energy: -104.707
tors. eta vs tors. theta energy: -168.400
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: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2042.969040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.969040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.969040 (E_RNA)
where:
Base-Base interactions energy: -1387.118
where: short stacking energy: -630.934
Base-Backbone interact. energy: -2.088
local terms energy: -653.763055
where:
bonds (distance) C4'-P energy: -118.086
bonds (distance) P-C4' energy: -123.037
flat angles C4'-P-C4' energy: -152.962
flat angles P-C4'-P energy: -74.493
tors. eta vs tors. theta energy: -185.185
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: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1917.836767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.836767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.836767 (E_RNA)
where:
Base-Base interactions energy: -1333.471
where: short stacking energy: -547.351
Base-Backbone interact. energy: 2.081
local terms energy: -586.446647
where:
bonds (distance) C4'-P energy: -124.320
bonds (distance) P-C4' energy: -107.088
flat angles C4'-P-C4' energy: -131.695
flat angles P-C4'-P energy: -72.363
tors. eta vs tors. theta energy: -150.980
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: 335
Temperature: 1.150000
Total energy: -1796.912770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.912770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.912770 (E_RNA)
where:
Base-Base interactions energy: -1200.803
where: short stacking energy: -525.685
Base-Backbone interact. energy: 0.002
local terms energy: -596.112067
where:
bonds (distance) C4'-P energy: -118.212
bonds (distance) P-C4' energy: -120.586
flat angles C4'-P-C4' energy: -140.826
flat angles P-C4'-P energy: -83.531
tors. eta vs tors. theta energy: -132.957
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: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1608.559123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.559123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.559123 (E_RNA)
where:
Base-Base interactions energy: -1093.199
where: short stacking energy: -480.683
Base-Backbone interact. energy: 3.437
local terms energy: -518.797427
where:
bonds (distance) C4'-P energy: -92.809
bonds (distance) P-C4' energy: -107.350
flat angles C4'-P-C4' energy: -110.479
flat angles P-C4'-P energy: -87.814
tors. eta vs tors. theta energy: -120.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1230.543500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.543500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.543500 (E_RNA)
where:
Base-Base interactions energy: -772.094
where: short stacking energy: -338.517
Base-Backbone interact. energy: 0.040
local terms energy: -458.490036
where:
bonds (distance) C4'-P energy: -100.579
bonds (distance) P-C4' energy: -121.274
flat angles C4'-P-C4' energy: -103.922
flat angles P-C4'-P energy: -75.228
tors. eta vs tors. theta energy: -57.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -861.696406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.696406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.696406 (E_RNA)
where:
Base-Base interactions energy: -471.866
where: short stacking energy: -252.514
Base-Backbone interact. energy: -2.207
local terms energy: -387.623900
where:
bonds (distance) C4'-P energy: -98.799
bonds (distance) P-C4' energy: -105.447
flat angles C4'-P-C4' energy: -115.018
flat angles P-C4'-P energy: -56.006
tors. eta vs tors. theta energy: -12.353
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: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -704.412226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.412226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.412226 (E_RNA)
where:
Base-Base interactions energy: -342.346
where: short stacking energy: -189.735
Base-Backbone interact. energy: 1.933
local terms energy: -363.998744
where:
bonds (distance) C4'-P energy: -94.796
bonds (distance) P-C4' energy: -123.774
flat angles C4'-P-C4' energy: -108.378
flat angles P-C4'-P energy: -33.211
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2274.410800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.410800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.410800 (E_RNA)
where:
Base-Base interactions energy: -1561.652
where: short stacking energy: -696.380
Base-Backbone interact. energy: 1.122
local terms energy: -713.880759
where:
bonds (distance) C4'-P energy: -130.976
bonds (distance) P-C4' energy: -124.580
flat angles C4'-P-C4' energy: -152.416
flat angles P-C4'-P energy: -99.413
tors. eta vs tors. theta energy: -206.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2213.768243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.768243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.768243 (E_RNA)
where:
Base-Base interactions energy: -1487.864
where: short stacking energy: -664.186
Base-Backbone interact. energy: -1.378
local terms energy: -724.526579
where:
bonds (distance) C4'-P energy: -136.397
bonds (distance) P-C4' energy: -131.236
flat angles C4'-P-C4' energy: -158.342
flat angles P-C4'-P energy: -107.559
tors. eta vs tors. theta energy: -190.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2169.682896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.682896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.682896 (E_RNA)
where:
Base-Base interactions energy: -1512.067
where: short stacking energy: -621.537
Base-Backbone interact. energy: -4.927
local terms energy: -652.688521
where:
bonds (distance) C4'-P energy: -112.339
bonds (distance) P-C4' energy: -134.595
flat angles C4'-P-C4' energy: -145.517
flat angles P-C4'-P energy: -88.088
tors. eta vs tors. theta energy: -172.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2022.899602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.899602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.899602 (E_RNA)
where:
Base-Base interactions energy: -1379.607
where: short stacking energy: -600.986
Base-Backbone interact. energy: -0.962
local terms energy: -642.330492
where:
bonds (distance) C4'-P energy: -108.741
bonds (distance) P-C4' energy: -126.105
flat angles C4'-P-C4' energy: -137.661
flat angles P-C4'-P energy: -100.177
tors. eta vs tors. theta energy: -169.646
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: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1916.461917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.461917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.461917 (E_RNA)
where:
Base-Base interactions energy: -1328.918
where: short stacking energy: -546.313
Base-Backbone interact. energy: -2.761
local terms energy: -584.782121
where:
bonds (distance) C4'-P energy: -124.475
bonds (distance) P-C4' energy: -105.637
flat angles C4'-P-C4' energy: -125.785
flat angles P-C4'-P energy: -74.509
tors. eta vs tors. theta energy: -154.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1723.623205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.623205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.623205 (E_RNA)
where:
Base-Base interactions energy: -1160.000
where: short stacking energy: -493.610
Base-Backbone interact. energy: 0.402
local terms energy: -564.024893
where:
bonds (distance) C4'-P energy: -109.235
bonds (distance) P-C4' energy: -117.035
flat angles C4'-P-C4' energy: -130.473
flat angles P-C4'-P energy: -74.634
tors. eta vs tors. theta energy: -132.648
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: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1657.031971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.031971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.031971 (E_RNA)
where:
Base-Base interactions energy: -1090.194
where: short stacking energy: -489.516
Base-Backbone interact. energy: -3.488
local terms energy: -563.349899
where:
bonds (distance) C4'-P energy: -109.660
bonds (distance) P-C4' energy: -112.992
flat angles C4'-P-C4' energy: -129.559
flat angles P-C4'-P energy: -68.061
tors. eta vs tors. theta energy: -143.078
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: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1238.236637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.236637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.236637 (E_RNA)
where:
Base-Base interactions energy: -798.142
where: short stacking energy: -364.587
Base-Backbone interact. energy: -3.581
local terms energy: -436.513672
where:
bonds (distance) C4'-P energy: -100.058
bonds (distance) P-C4' energy: -101.713
flat angles C4'-P-C4' energy: -105.029
flat angles P-C4'-P energy: -62.018
tors. eta vs tors. theta energy: -67.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -789.263584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.263584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.263584 (E_RNA)
where:
Base-Base interactions energy: -372.032
where: short stacking energy: -226.338
Base-Backbone interact. energy: -1.628
local terms energy: -415.603536
where:
bonds (distance) C4'-P energy: -118.778
bonds (distance) P-C4' energy: -125.981
flat angles C4'-P-C4' energy: -100.293
flat angles P-C4'-P energy: -61.172
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -849.174693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.174693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.174693 (E_RNA)
where:
Base-Base interactions energy: -513.846
where: short stacking energy: -255.324
Base-Backbone interact. energy: 2.656
local terms energy: -337.984866
where:
bonds (distance) C4'-P energy: -113.424
bonds (distance) P-C4' energy: -85.879
flat angles C4'-P-C4' energy: -84.886
flat angles P-C4'-P energy: -43.453
tors. eta vs tors. theta energy: -10.343
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: 337
Temperature: 0.900000
Total energy: -2275.330394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.330394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.330394 (E_RNA)
where:
Base-Base interactions energy: -1547.528
where: short stacking energy: -687.208
Base-Backbone interact. energy: -3.293
local terms energy: -724.509030
where:
bonds (distance) C4'-P energy: -125.825
bonds (distance) P-C4' energy: -136.924
flat angles C4'-P-C4' energy: -143.855
flat angles P-C4'-P energy: -105.227
tors. eta vs tors. theta energy: -212.677
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: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2236.529964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.529964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.529964 (E_RNA)
where:
Base-Base interactions energy: -1525.788
where: short stacking energy: -691.325
Base-Backbone interact. energy: 0.581
local terms energy: -711.323159
where:
bonds (distance) C4'-P energy: -117.454
bonds (distance) P-C4' energy: -129.070
flat angles C4'-P-C4' energy: -151.878
flat angles P-C4'-P energy: -106.704
tors. eta vs tors. theta energy: -206.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2117.424163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.424163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.424163 (E_RNA)
where:
Base-Base interactions energy: -1490.932
where: short stacking energy: -618.639
Base-Backbone interact. energy: -3.865
local terms energy: -622.626979
where:
bonds (distance) C4'-P energy: -122.972
bonds (distance) P-C4' energy: -113.486
flat angles C4'-P-C4' energy: -144.923
flat angles P-C4'-P energy: -83.140
tors. eta vs tors. theta energy: -158.106
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: 337
Temperature: 1.050000
Total energy: -2042.404546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.404546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.404546 (E_RNA)
where:
Base-Base interactions energy: -1394.945
where: short stacking energy: -600.692
Base-Backbone interact. energy: -2.393
local terms energy: -645.066344
where:
bonds (distance) C4'-P energy: -125.456
bonds (distance) P-C4' energy: -119.189
flat angles C4'-P-C4' energy: -144.473
flat angles P-C4'-P energy: -93.337
tors. eta vs tors. theta energy: -162.611
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: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1890.125165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.125165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.125165 (E_RNA)
where:
Base-Base interactions energy: -1317.045
where: short stacking energy: -543.628
Base-Backbone interact. energy: 0.973
local terms energy: -574.053308
where:
bonds (distance) C4'-P energy: -102.308
bonds (distance) P-C4' energy: -102.804
flat angles C4'-P-C4' energy: -148.795
flat angles P-C4'-P energy: -79.942
tors. eta vs tors. theta energy: -140.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1728.729275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.729275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.729275 (E_RNA)
where:
Base-Base interactions energy: -1171.947
where: short stacking energy: -511.601
Base-Backbone interact. energy: -0.844
local terms energy: -555.937432
where:
bonds (distance) C4'-P energy: -113.447
bonds (distance) P-C4' energy: -120.032
flat angles C4'-P-C4' energy: -114.368
flat angles P-C4'-P energy: -80.043
tors. eta vs tors. theta energy: -128.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1635.025294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.025294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.025294 (E_RNA)
where:
Base-Base interactions energy: -1075.372
where: short stacking energy: -474.740
Base-Backbone interact. energy: -1.712
local terms energy: -557.942095
where:
bonds (distance) C4'-P energy: -126.894
bonds (distance) P-C4' energy: -111.891
flat angles C4'-P-C4' energy: -116.828
flat angles P-C4'-P energy: -79.186
tors. eta vs tors. theta energy: -123.142
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: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1250.665160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.665160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.665160 (E_RNA)
where:
Base-Base interactions energy: -800.931
where: short stacking energy: -362.878
Base-Backbone interact. energy: 2.125
local terms energy: -451.859631
where:
bonds (distance) C4'-P energy: -93.441
bonds (distance) P-C4' energy: -112.300
flat angles C4'-P-C4' energy: -111.694
flat angles P-C4'-P energy: -66.278
tors. eta vs tors. theta energy: -68.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -774.483536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.483536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.483536 (E_RNA)
where:
Base-Base interactions energy: -376.552
where: short stacking energy: -233.193
Base-Backbone interact. energy: -1.055
local terms energy: -396.876774
where:
bonds (distance) C4'-P energy: -111.100
bonds (distance) P-C4' energy: -109.960
flat angles C4'-P-C4' energy: -83.679
flat angles P-C4'-P energy: -62.210
tors. eta vs tors. theta energy: -29.928
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: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -842.409037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.409037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.409037 (E_RNA)
where:
Base-Base interactions energy: -479.419
where: short stacking energy: -227.959
Base-Backbone interact. energy: -1.489
local terms energy: -361.501368
where:
bonds (distance) C4'-P energy: -106.967
bonds (distance) P-C4' energy: -117.233
flat angles C4'-P-C4' energy: -97.949
flat angles P-C4'-P energy: -50.157
tors. eta vs tors. theta energy: 10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2271.660029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.660029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.660029 (E_RNA)
where:
Base-Base interactions energy: -1542.560
where: short stacking energy: -684.656
Base-Backbone interact. energy: -4.000
local terms energy: -725.100753
where:
bonds (distance) C4'-P energy: -125.669
bonds (distance) P-C4' energy: -128.106
flat angles C4'-P-C4' energy: -162.947
flat angles P-C4'-P energy: -108.287
tors. eta vs tors. theta energy: -200.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2246.331342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.331342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.331342 (E_RNA)
where:
Base-Base interactions energy: -1526.809
where: short stacking energy: -687.819
Base-Backbone interact. energy: 0.341
local terms energy: -719.862794
where:
bonds (distance) C4'-P energy: -128.619
bonds (distance) P-C4' energy: -136.358
flat angles C4'-P-C4' energy: -149.402
flat angles P-C4'-P energy: -101.021
tors. eta vs tors. theta energy: -204.464
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: 338
Temperature: 1.000000
Total energy: -2113.284770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.284770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.284770 (E_RNA)
where:
Base-Base interactions energy: -1453.913
where: short stacking energy: -602.579
Base-Backbone interact. energy: -3.716
local terms energy: -655.655702
where:
bonds (distance) C4'-P energy: -128.817
bonds (distance) P-C4' energy: -136.536
flat angles C4'-P-C4' energy: -146.094
flat angles P-C4'-P energy: -90.280
tors. eta vs tors. theta energy: -153.929
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: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2017.299229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.299229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.299229 (E_RNA)
where:
Base-Base interactions energy: -1390.619
where: short stacking energy: -590.450
Base-Backbone interact. energy: -0.013
local terms energy: -626.667631
where:
bonds (distance) C4'-P energy: -127.359
bonds (distance) P-C4' energy: -114.372
flat angles C4'-P-C4' energy: -143.327
flat angles P-C4'-P energy: -92.121
tors. eta vs tors. theta energy: -149.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1925.499211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.499211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.499211 (E_RNA)
where:
Base-Base interactions energy: -1348.798
where: short stacking energy: -550.600
Base-Backbone interact. energy: 1.224
local terms energy: -577.925100
where:
bonds (distance) C4'-P energy: -105.852
bonds (distance) P-C4' energy: -94.207
flat angles C4'-P-C4' energy: -131.597
flat angles P-C4'-P energy: -88.583
tors. eta vs tors. theta energy: -157.686
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: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1756.301190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.301190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.301190 (E_RNA)
where:
Base-Base interactions energy: -1197.642
where: short stacking energy: -530.644
Base-Backbone interact. energy: -0.907
local terms energy: -557.752227
where:
bonds (distance) C4'-P energy: -93.096
bonds (distance) P-C4' energy: -122.556
flat angles C4'-P-C4' energy: -132.250
flat angles P-C4'-P energy: -71.260
tors. eta vs tors. theta energy: -138.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1589.951012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.951012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.951012 (E_RNA)
where:
Base-Base interactions energy: -1048.800
where: short stacking energy: -459.331
Base-Backbone interact. energy: -0.483
local terms energy: -540.667957
where:
bonds (distance) C4'-P energy: -128.146
bonds (distance) P-C4' energy: -113.400
flat angles C4'-P-C4' energy: -105.996
flat angles P-C4'-P energy: -63.901
tors. eta vs tors. theta energy: -129.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1233.097985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.097985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.097985 (E_RNA)
where:
Base-Base interactions energy: -741.047
where: short stacking energy: -333.494
Base-Backbone interact. energy: -1.606
local terms energy: -490.444692
where:
bonds (distance) C4'-P energy: -119.867
bonds (distance) P-C4' energy: -124.468
flat angles C4'-P-C4' energy: -92.518
flat angles P-C4'-P energy: -91.380
tors. eta vs tors. theta energy: -62.213
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: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -907.942548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.942548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.942548 (E_RNA)
where:
Base-Base interactions energy: -522.865
where: short stacking energy: -260.158
Base-Backbone interact. energy: -0.913
local terms energy: -384.164589
where:
bonds (distance) C4'-P energy: -89.017
bonds (distance) P-C4' energy: -117.215
flat angles C4'-P-C4' energy: -101.113
flat angles P-C4'-P energy: -62.631
tors. eta vs tors. theta energy: -14.189
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: 338
Temperature: 1.350000
Total energy: -760.284988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.284988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.284988 (E_RNA)
where:
Base-Base interactions energy: -394.560
where: short stacking energy: -240.325
Base-Backbone interact. energy: -1.680
local terms energy: -364.045725
where:
bonds (distance) C4'-P energy: -90.075
bonds (distance) P-C4' energy: -107.751
flat angles C4'-P-C4' energy: -103.733
flat angles P-C4'-P energy: -53.078
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2237.029888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.029888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.029888 (E_RNA)
where:
Base-Base interactions energy: -1558.639
where: short stacking energy: -660.646
Base-Backbone interact. energy: 4.074
local terms energy: -682.465573
where:
bonds (distance) C4'-P energy: -123.735
bonds (distance) P-C4' energy: -128.105
flat angles C4'-P-C4' energy: -141.694
flat angles P-C4'-P energy: -103.005
tors. eta vs tors. theta energy: -185.926
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: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2260.073712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.073712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.073712 (E_RNA)
where:
Base-Base interactions energy: -1520.912
where: short stacking energy: -682.296
Base-Backbone interact. energy: -3.818
local terms energy: -735.344078
where:
bonds (distance) C4'-P energy: -130.850
bonds (distance) P-C4' energy: -138.696
flat angles C4'-P-C4' energy: -150.010
flat angles P-C4'-P energy: -109.494
tors. eta vs tors. theta energy: -206.294
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: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2152.048701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.048701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.048701 (E_RNA)
where:
Base-Base interactions energy: -1504.026
where: short stacking energy: -645.447
Base-Backbone interact. energy: -3.549
local terms energy: -644.474617
where:
bonds (distance) C4'-P energy: -119.820
bonds (distance) P-C4' energy: -118.808
flat angles C4'-P-C4' energy: -147.391
flat angles P-C4'-P energy: -89.123
tors. eta vs tors. theta energy: -169.332
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: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2038.625735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.625735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.625735 (E_RNA)
where:
Base-Base interactions energy: -1371.895
where: short stacking energy: -608.670
Base-Backbone interact. energy: -3.534
local terms energy: -663.196723
where:
bonds (distance) C4'-P energy: -110.512
bonds (distance) P-C4' energy: -138.066
flat angles C4'-P-C4' energy: -135.972
flat angles P-C4'-P energy: -101.645
tors. eta vs tors. theta energy: -177.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1860.668169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.668169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.668169 (E_RNA)
where:
Base-Base interactions energy: -1239.275
where: short stacking energy: -543.754
Base-Backbone interact. energy: -0.308
local terms energy: -621.085227
where:
bonds (distance) C4'-P energy: -124.102
bonds (distance) P-C4' energy: -122.306
flat angles C4'-P-C4' energy: -133.526
flat angles P-C4'-P energy: -95.262
tors. eta vs tors. theta energy: -145.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1764.335902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.335902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.335902 (E_RNA)
where:
Base-Base interactions energy: -1199.393
where: short stacking energy: -518.941
Base-Backbone interact. energy: -0.008
local terms energy: -564.934730
where:
bonds (distance) C4'-P energy: -99.518
bonds (distance) P-C4' energy: -113.980
flat angles C4'-P-C4' energy: -131.824
flat angles P-C4'-P energy: -83.674
tors. eta vs tors. theta energy: -135.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1635.355916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.355916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.355916 (E_RNA)
where:
Base-Base interactions energy: -1107.974
where: short stacking energy: -476.987
Base-Backbone interact. energy: -0.023
local terms energy: -527.358750
where:
bonds (distance) C4'-P energy: -100.032
bonds (distance) P-C4' energy: -103.068
flat angles C4'-P-C4' energy: -123.720
flat angles P-C4'-P energy: -70.695
tors. eta vs tors. theta energy: -129.843
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: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1190.256732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.256732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.256732 (E_RNA)
where:
Base-Base interactions energy: -758.203
where: short stacking energy: -343.939
Base-Backbone interact. energy: 1.401
local terms energy: -433.455422
where:
bonds (distance) C4'-P energy: -96.246
bonds (distance) P-C4' energy: -112.575
flat angles C4'-P-C4' energy: -107.922
flat angles P-C4'-P energy: -61.303
tors. eta vs tors. theta energy: -55.410
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: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -906.806308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.806308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.806308 (E_RNA)
where:
Base-Base interactions energy: -545.422
where: short stacking energy: -287.403
Base-Backbone interact. energy: -0.730
local terms energy: -360.654165
where:
bonds (distance) C4'-P energy: -94.170
bonds (distance) P-C4' energy: -96.414
flat angles C4'-P-C4' energy: -104.983
flat angles P-C4'-P energy: -49.771
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -743.057620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.057620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.057620 (E_RNA)
where:
Base-Base interactions energy: -381.924
where: short stacking energy: -221.515
Base-Backbone interact. energy: -0.790
local terms energy: -360.343308
where:
bonds (distance) C4'-P energy: -93.280
bonds (distance) P-C4' energy: -114.844
flat angles C4'-P-C4' energy: -104.061
flat angles P-C4'-P energy: -48.049
tors. eta vs tors. theta energy: -0.109
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: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2263.764167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.764167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.764167 (E_RNA)
where:
Base-Base interactions energy: -1552.672
where: short stacking energy: -667.414
Base-Backbone interact. energy: -1.681
local terms energy: -709.410436
where:
bonds (distance) C4'-P energy: -136.153
bonds (distance) P-C4' energy: -124.116
flat angles C4'-P-C4' energy: -150.582
flat angles P-C4'-P energy: -100.031
tors. eta vs tors. theta energy: -198.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2210.355109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.355109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.355109 (E_RNA)
where:
Base-Base interactions energy: -1500.632
where: short stacking energy: -670.150
Base-Backbone interact. energy: -2.294
local terms energy: -707.428392
where:
bonds (distance) C4'-P energy: -128.475
bonds (distance) P-C4' energy: -118.704
flat angles C4'-P-C4' energy: -151.204
flat angles P-C4'-P energy: -106.552
tors. eta vs tors. theta energy: -202.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2151.706789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.706789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.706789 (E_RNA)
where:
Base-Base interactions energy: -1495.563
where: short stacking energy: -598.709
Base-Backbone interact. energy: 3.199
local terms energy: -659.342559
where:
bonds (distance) C4'-P energy: -130.084
bonds (distance) P-C4' energy: -131.123
flat angles C4'-P-C4' energy: -147.266
flat angles P-C4'-P energy: -79.519
tors. eta vs tors. theta energy: -171.351
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: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2044.156136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.156136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.156136 (E_RNA)
where:
Base-Base interactions energy: -1380.369
where: short stacking energy: -601.521
Base-Backbone interact. energy: -0.933
local terms energy: -662.853798
where:
bonds (distance) C4'-P energy: -118.701
bonds (distance) P-C4' energy: -131.131
flat angles C4'-P-C4' energy: -140.022
flat angles P-C4'-P energy: -102.665
tors. eta vs tors. theta energy: -170.335
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: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1889.217255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.217255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.217255 (E_RNA)
where:
Base-Base interactions energy: -1299.627
where: short stacking energy: -575.497
Base-Backbone interact. energy: -2.702
local terms energy: -586.887800
where:
bonds (distance) C4'-P energy: -109.731
bonds (distance) P-C4' energy: -111.967
flat angles C4'-P-C4' energy: -126.367
flat angles P-C4'-P energy: -79.460
tors. eta vs tors. theta energy: -159.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1768.870790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.870790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.870790 (E_RNA)
where:
Base-Base interactions energy: -1201.775
where: short stacking energy: -526.168
Base-Backbone interact. energy: 4.081
local terms energy: -571.176105
where:
bonds (distance) C4'-P energy: -110.931
bonds (distance) P-C4' energy: -105.918
flat angles C4'-P-C4' energy: -133.171
flat angles P-C4'-P energy: -73.826
tors. eta vs tors. theta energy: -147.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1606.016664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.016664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.016664 (E_RNA)
where:
Base-Base interactions energy: -1072.105
where: short stacking energy: -449.196
Base-Backbone interact. energy: -0.907
local terms energy: -533.005223
where:
bonds (distance) C4'-P energy: -107.006
bonds (distance) P-C4' energy: -132.721
flat angles C4'-P-C4' energy: -121.537
flat angles P-C4'-P energy: -60.032
tors. eta vs tors. theta energy: -111.709
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: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1197.586149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.586149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.586149 (E_RNA)
where:
Base-Base interactions energy: -765.815
where: short stacking energy: -371.263
Base-Backbone interact. energy: 3.315
local terms energy: -435.086373
where:
bonds (distance) C4'-P energy: -101.751
bonds (distance) P-C4' energy: -98.951
flat angles C4'-P-C4' energy: -114.096
flat angles P-C4'-P energy: -72.219
tors. eta vs tors. theta energy: -48.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -930.893934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.893934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.893934 (E_RNA)
where:
Base-Base interactions energy: -525.982
where: short stacking energy: -257.983
Base-Backbone interact. energy: 2.304
local terms energy: -407.215811
where:
bonds (distance) C4'-P energy: -101.447
bonds (distance) P-C4' energy: -120.271
flat angles C4'-P-C4' energy: -88.176
flat angles P-C4'-P energy: -73.261
tors. eta vs tors. theta energy: -24.062
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: 340
Temperature: 1.350000
Total energy: -736.388120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.388120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.388120 (E_RNA)
where:
Base-Base interactions energy: -353.299
where: short stacking energy: -214.100
Base-Backbone interact. energy: 0.341
local terms energy: -383.429513
where:
bonds (distance) C4'-P energy: -112.386
bonds (distance) P-C4' energy: -115.117
flat angles C4'-P-C4' energy: -87.448
flat angles P-C4'-P energy: -56.451
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2265.887759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.887759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.887759 (E_RNA)
where:
Base-Base interactions energy: -1547.567
where: short stacking energy: -643.527
Base-Backbone interact. energy: -1.469
local terms energy: -716.851036
where:
bonds (distance) C4'-P energy: -139.167
bonds (distance) P-C4' energy: -135.402
flat angles C4'-P-C4' energy: -151.004
flat angles P-C4'-P energy: -100.402
tors. eta vs tors. theta energy: -190.875
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: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2254.225628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.225628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.225628 (E_RNA)
where:
Base-Base interactions energy: -1520.716
where: short stacking energy: -678.241
Base-Backbone interact. energy: 1.122
local terms energy: -734.631926
where:
bonds (distance) C4'-P energy: -135.619
bonds (distance) P-C4' energy: -138.124
flat angles C4'-P-C4' energy: -148.963
flat angles P-C4'-P energy: -101.642
tors. eta vs tors. theta energy: -210.283
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: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2162.087702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.087702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.087702 (E_RNA)
where:
Base-Base interactions energy: -1504.450
where: short stacking energy: -607.916
Base-Backbone interact. energy: -4.517
local terms energy: -653.121136
where:
bonds (distance) C4'-P energy: -120.462
bonds (distance) P-C4' energy: -129.702
flat angles C4'-P-C4' energy: -144.384
flat angles P-C4'-P energy: -94.145
tors. eta vs tors. theta energy: -164.427
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: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2022.841134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.841134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.841134 (E_RNA)
where:
Base-Base interactions energy: -1378.865
where: short stacking energy: -593.980
Base-Backbone interact. energy: -5.505
local terms energy: -638.470924
where:
bonds (distance) C4'-P energy: -114.207
bonds (distance) P-C4' energy: -127.918
flat angles C4'-P-C4' energy: -138.208
flat angles P-C4'-P energy: -88.268
tors. eta vs tors. theta energy: -169.869
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: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1910.798468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.798468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.798468 (E_RNA)
where:
Base-Base interactions energy: -1303.353
where: short stacking energy: -540.359
Base-Backbone interact. energy: -1.350
local terms energy: -606.095264
where:
bonds (distance) C4'-P energy: -118.971
bonds (distance) P-C4' energy: -121.912
flat angles C4'-P-C4' energy: -132.688
flat angles P-C4'-P energy: -80.999
tors. eta vs tors. theta energy: -151.525
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: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1754.515516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.515516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.515516 (E_RNA)
where:
Base-Base interactions energy: -1159.554
where: short stacking energy: -524.027
Base-Backbone interact. energy: -1.133
local terms energy: -593.828481
where:
bonds (distance) C4'-P energy: -115.019
bonds (distance) P-C4' energy: -118.574
flat angles C4'-P-C4' energy: -139.394
flat angles P-C4'-P energy: -75.431
tors. eta vs tors. theta energy: -145.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1544.009556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.009556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.009556 (E_RNA)
where:
Base-Base interactions energy: -1024.962
where: short stacking energy: -446.641
Base-Backbone interact. energy: -1.317
local terms energy: -517.730308
where:
bonds (distance) C4'-P energy: -99.478
bonds (distance) P-C4' energy: -111.804
flat angles C4'-P-C4' energy: -109.613
flat angles P-C4'-P energy: -76.650
tors. eta vs tors. theta energy: -120.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1221.461654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.461654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.461654 (E_RNA)
where:
Base-Base interactions energy: -780.913
where: short stacking energy: -354.034
Base-Backbone interact. energy: -2.361
local terms energy: -438.187985
where:
bonds (distance) C4'-P energy: -95.629
bonds (distance) P-C4' energy: -108.116
flat angles C4'-P-C4' energy: -107.889
flat angles P-C4'-P energy: -76.872
tors. eta vs tors. theta energy: -49.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -924.783109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.783109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.783109 (E_RNA)
where:
Base-Base interactions energy: -514.092
where: short stacking energy: -248.357
Base-Backbone interact. energy: 5.111
local terms energy: -415.802135
where:
bonds (distance) C4'-P energy: -102.545
bonds (distance) P-C4' energy: -113.779
flat angles C4'-P-C4' energy: -118.480
flat angles P-C4'-P energy: -73.195
tors. eta vs tors. theta energy: -7.803
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: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -721.526257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.526257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.526257 (E_RNA)
where:
Base-Base interactions energy: -340.865
where: short stacking energy: -205.376
Base-Backbone interact. energy: -0.923
local terms energy: -379.738355
where:
bonds (distance) C4'-P energy: -109.537
bonds (distance) P-C4' energy: -120.112
flat angles C4'-P-C4' energy: -100.759
flat angles P-C4'-P energy: -55.389
tors. eta vs tors. theta energy: 6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2309.962423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.962423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.962423 (E_RNA)
where:
Base-Base interactions energy: -1564.765
where: short stacking energy: -677.815
Base-Backbone interact. energy: -1.792
local terms energy: -743.404597
where:
bonds (distance) C4'-P energy: -128.188
bonds (distance) P-C4' energy: -142.327
flat angles C4'-P-C4' energy: -155.335
flat angles P-C4'-P energy: -107.012
tors. eta vs tors. theta energy: -210.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2218.456488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.456488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.456488 (E_RNA)
where:
Base-Base interactions energy: -1500.736
where: short stacking energy: -668.340
Base-Backbone interact. energy: -1.744
local terms energy: -715.976657
where:
bonds (distance) C4'-P energy: -119.972
bonds (distance) P-C4' energy: -134.570
flat angles C4'-P-C4' energy: -150.715
flat angles P-C4'-P energy: -95.947
tors. eta vs tors. theta energy: -214.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2083.897862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.897862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.897862 (E_RNA)
where:
Base-Base interactions energy: -1414.342
where: short stacking energy: -621.021
Base-Backbone interact. energy: -2.704
local terms energy: -666.851539
where:
bonds (distance) C4'-P energy: -120.816
bonds (distance) P-C4' energy: -121.972
flat angles C4'-P-C4' energy: -145.759
flat angles P-C4'-P energy: -97.200
tors. eta vs tors. theta energy: -181.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2099.820431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.820431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.820431 (E_RNA)
where:
Base-Base interactions energy: -1450.010
where: short stacking energy: -614.636
Base-Backbone interact. energy: 0.166
local terms energy: -649.976375
where:
bonds (distance) C4'-P energy: -113.545
bonds (distance) P-C4' energy: -121.949
flat angles C4'-P-C4' energy: -153.322
flat angles P-C4'-P energy: -96.835
tors. eta vs tors. theta energy: -164.326
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: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1857.496361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.496361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.496361 (E_RNA)
where:
Base-Base interactions energy: -1282.261
where: short stacking energy: -543.093
Base-Backbone interact. energy: -3.395
local terms energy: -571.840296
where:
bonds (distance) C4'-P energy: -115.027
bonds (distance) P-C4' energy: -112.736
flat angles C4'-P-C4' energy: -114.543
flat angles P-C4'-P energy: -87.932
tors. eta vs tors. theta energy: -141.602
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: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1639.418797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.418797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.418797 (E_RNA)
where:
Base-Base interactions energy: -1081.141
where: short stacking energy: -450.281
Base-Backbone interact. energy: 4.929
local terms energy: -563.207175
where:
bonds (distance) C4'-P energy: -114.595
bonds (distance) P-C4' energy: -125.152
flat angles C4'-P-C4' energy: -124.300
flat angles P-C4'-P energy: -84.204
tors. eta vs tors. theta energy: -114.957
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: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1559.223827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.223827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.223827 (E_RNA)
where:
Base-Base interactions energy: -1018.748
where: short stacking energy: -449.996
Base-Backbone interact. energy: -1.624
local terms energy: -538.852018
where:
bonds (distance) C4'-P energy: -96.781
bonds (distance) P-C4' energy: -128.821
flat angles C4'-P-C4' energy: -118.327
flat angles P-C4'-P energy: -80.503
tors. eta vs tors. theta energy: -114.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1241.195870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.195870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.195870 (E_RNA)
where:
Base-Base interactions energy: -798.443
where: short stacking energy: -358.674
Base-Backbone interact. energy: -1.355
local terms energy: -441.398465
where:
bonds (distance) C4'-P energy: -118.120
bonds (distance) P-C4' energy: -103.298
flat angles C4'-P-C4' energy: -112.732
flat angles P-C4'-P energy: -53.177
tors. eta vs tors. theta energy: -54.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -904.327145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.327145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.327145 (E_RNA)
where:
Base-Base interactions energy: -524.199
where: short stacking energy: -279.488
Base-Backbone interact. energy: -1.331
local terms energy: -378.796545
where:
bonds (distance) C4'-P energy: -105.669
bonds (distance) P-C4' energy: -113.245
flat angles C4'-P-C4' energy: -86.417
flat angles P-C4'-P energy: -53.027
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -734.999465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.999465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.999465 (E_RNA)
where:
Base-Base interactions energy: -334.763
where: short stacking energy: -192.966
Base-Backbone interact. energy: 2.049
local terms energy: -402.284727
where:
bonds (distance) C4'-P energy: -129.917
bonds (distance) P-C4' energy: -101.299
flat angles C4'-P-C4' energy: -95.533
flat angles P-C4'-P energy: -74.372
tors. eta vs tors. theta energy: -1.164
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: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2300.108307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.108307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.108307 (E_RNA)
where:
Base-Base interactions energy: -1565.578
where: short stacking energy: -682.080
Base-Backbone interact. energy: -1.594
local terms energy: -732.937012
where:
bonds (distance) C4'-P energy: -128.003
bonds (distance) P-C4' energy: -144.521
flat angles C4'-P-C4' energy: -156.365
flat angles P-C4'-P energy: -97.098
tors. eta vs tors. theta energy: -206.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2214.976317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.976317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.976317 (E_RNA)
where:
Base-Base interactions energy: -1479.290
where: short stacking energy: -654.063
Base-Backbone interact. energy: 2.460
local terms energy: -738.146031
where:
bonds (distance) C4'-P energy: -129.624
bonds (distance) P-C4' energy: -142.137
flat angles C4'-P-C4' energy: -142.099
flat angles P-C4'-P energy: -118.163
tors. eta vs tors. theta energy: -206.122
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: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2078.903751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.903751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.903751 (E_RNA)
where:
Base-Base interactions energy: -1420.919
where: short stacking energy: -613.670
Base-Backbone interact. energy: -1.593
local terms energy: -656.391714
where:
bonds (distance) C4'-P energy: -111.777
bonds (distance) P-C4' energy: -131.935
flat angles C4'-P-C4' energy: -143.903
flat angles P-C4'-P energy: -98.227
tors. eta vs tors. theta energy: -170.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2072.783682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.783682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.783682 (E_RNA)
where:
Base-Base interactions energy: -1454.775
where: short stacking energy: -573.127
Base-Backbone interact. energy: -1.129
local terms energy: -616.880518
where:
bonds (distance) C4'-P energy: -127.174
bonds (distance) P-C4' energy: -105.948
flat angles C4'-P-C4' energy: -138.699
flat angles P-C4'-P energy: -81.548
tors. eta vs tors. theta energy: -163.511
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: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1924.850221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.850221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.850221 (E_RNA)
where:
Base-Base interactions energy: -1307.136
where: short stacking energy: -564.997
Base-Backbone interact. energy: -2.907
local terms energy: -614.806609
where:
bonds (distance) C4'-P energy: -128.194
bonds (distance) P-C4' energy: -109.945
flat angles C4'-P-C4' energy: -129.868
flat angles P-C4'-P energy: -75.112
tors. eta vs tors. theta energy: -171.688
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: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1667.321197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.321197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.321197 (E_RNA)
where:
Base-Base interactions energy: -1100.410
where: short stacking energy: -484.574
Base-Backbone interact. energy: 0.223
local terms energy: -567.134613
where:
bonds (distance) C4'-P energy: -114.701
bonds (distance) P-C4' energy: -114.119
flat angles C4'-P-C4' energy: -132.345
flat angles P-C4'-P energy: -80.841
tors. eta vs tors. theta energy: -125.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1571.312321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.312321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.312321 (E_RNA)
where:
Base-Base interactions energy: -1075.628
where: short stacking energy: -479.893
Base-Backbone interact. energy: -1.712
local terms energy: -493.971726
where:
bonds (distance) C4'-P energy: -103.604
bonds (distance) P-C4' energy: -101.649
flat angles C4'-P-C4' energy: -108.812
flat angles P-C4'-P energy: -60.278
tors. eta vs tors. theta energy: -119.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1253.416812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.416812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.416812 (E_RNA)
where:
Base-Base interactions energy: -811.949
where: short stacking energy: -351.867
Base-Backbone interact. energy: -0.900
local terms energy: -440.568140
where:
bonds (distance) C4'-P energy: -113.390
bonds (distance) P-C4' energy: -110.610
flat angles C4'-P-C4' energy: -99.650
flat angles P-C4'-P energy: -53.290
tors. eta vs tors. theta energy: -63.628
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: 343
Temperature: 1.300000
Total energy: -917.458796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.458796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.458796 (E_RNA)
where:
Base-Base interactions energy: -501.799
where: short stacking energy: -246.602
Base-Backbone interact. energy: -0.748
local terms energy: -414.911838
where:
bonds (distance) C4'-P energy: -110.235
bonds (distance) P-C4' energy: -119.675
flat angles C4'-P-C4' energy: -111.433
flat angles P-C4'-P energy: -51.444
tors. eta vs tors. theta energy: -22.125
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: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -709.767639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.767639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.767639 (E_RNA)
where:
Base-Base interactions energy: -340.816
where: short stacking energy: -178.831
Base-Backbone interact. energy: 3.252
local terms energy: -372.203904
where:
bonds (distance) C4'-P energy: -105.498
bonds (distance) P-C4' energy: -121.227
flat angles C4'-P-C4' energy: -100.994
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: 5.006
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: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2286.012256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.012256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.012256 (E_RNA)
where:
Base-Base interactions energy: -1576.854
where: short stacking energy: -668.927
Base-Backbone interact. energy: -0.489
local terms energy: -708.669024
where:
bonds (distance) C4'-P energy: -126.481
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -146.367
flat angles P-C4'-P energy: -95.982
tors. eta vs tors. theta energy: -203.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2226.502232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.502232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.502232 (E_RNA)
where:
Base-Base interactions energy: -1507.813
where: short stacking energy: -676.587
Base-Backbone interact. energy: -4.081
local terms energy: -714.608459
where:
bonds (distance) C4'-P energy: -123.872
bonds (distance) P-C4' energy: -129.134
flat angles C4'-P-C4' energy: -149.606
flat angles P-C4'-P energy: -113.787
tors. eta vs tors. theta energy: -198.210
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: 344
Temperature: 1.000000
Total energy: -2143.782642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.782642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.782642 (E_RNA)
where:
Base-Base interactions energy: -1475.592
where: short stacking energy: -615.499
Base-Backbone interact. energy: -2.431
local terms energy: -665.759802
where:
bonds (distance) C4'-P energy: -114.810
bonds (distance) P-C4' energy: -139.667
flat angles C4'-P-C4' energy: -135.026
flat angles P-C4'-P energy: -103.255
tors. eta vs tors. theta energy: -173.001
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: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2062.013522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.013522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.013522 (E_RNA)
where:
Base-Base interactions energy: -1429.829
where: short stacking energy: -617.885
Base-Backbone interact. energy: -3.510
local terms energy: -628.674879
where:
bonds (distance) C4'-P energy: -103.068
bonds (distance) P-C4' energy: -118.580
flat angles C4'-P-C4' energy: -133.313
flat angles P-C4'-P energy: -102.690
tors. eta vs tors. theta energy: -171.023
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: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1865.111060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.111060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.111060 (E_RNA)
where:
Base-Base interactions energy: -1287.716
where: short stacking energy: -548.077
Base-Backbone interact. energy: 1.615
local terms energy: -579.009594
where:
bonds (distance) C4'-P energy: -112.704
bonds (distance) P-C4' energy: -110.070
flat angles C4'-P-C4' energy: -133.581
flat angles P-C4'-P energy: -73.594
tors. eta vs tors. theta energy: -149.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1749.525726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.525726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.525726 (E_RNA)
where:
Base-Base interactions energy: -1163.293
where: short stacking energy: -506.562
Base-Backbone interact. energy: -1.856
local terms energy: -584.376962
where:
bonds (distance) C4'-P energy: -118.650
bonds (distance) P-C4' energy: -109.970
flat angles C4'-P-C4' energy: -122.579
flat angles P-C4'-P energy: -80.405
tors. eta vs tors. theta energy: -152.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1591.515193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.515193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.515193 (E_RNA)
where:
Base-Base interactions energy: -1057.411
where: short stacking energy: -467.368
Base-Backbone interact. energy: -2.951
local terms energy: -531.152597
where:
bonds (distance) C4'-P energy: -96.106
bonds (distance) P-C4' energy: -115.131
flat angles C4'-P-C4' energy: -132.904
flat angles P-C4'-P energy: -71.041
tors. eta vs tors. theta energy: -115.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1269.738619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.738619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.738619 (E_RNA)
where:
Base-Base interactions energy: -818.431
where: short stacking energy: -372.889
Base-Backbone interact. energy: -1.116
local terms energy: -450.191825
where:
bonds (distance) C4'-P energy: -98.654
bonds (distance) P-C4' energy: -121.761
flat angles C4'-P-C4' energy: -108.703
flat angles P-C4'-P energy: -58.201
tors. eta vs tors. theta energy: -62.873
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: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -901.814988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.814988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.814988 (E_RNA)
where:
Base-Base interactions energy: -493.542
where: short stacking energy: -248.127
Base-Backbone interact. energy: 5.462
local terms energy: -413.735015
where:
bonds (distance) C4'-P energy: -98.663
bonds (distance) P-C4' energy: -122.243
flat angles C4'-P-C4' energy: -96.157
flat angles P-C4'-P energy: -69.855
tors. eta vs tors. theta energy: -26.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -758.477628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.477628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.477628 (E_RNA)
where:
Base-Base interactions energy: -398.856
where: short stacking energy: -235.687
Base-Backbone interact. energy: 0.605
local terms energy: -360.227192
where:
bonds (distance) C4'-P energy: -91.875
bonds (distance) P-C4' energy: -101.469
flat angles C4'-P-C4' energy: -100.450
flat angles P-C4'-P energy: -60.386
tors. eta vs tors. theta energy: -6.049
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: 345
Temperature: 0.900000
Total energy: -2298.455896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.455896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.455896 (E_RNA)
where:
Base-Base interactions energy: -1581.189
where: short stacking energy: -680.968
Base-Backbone interact. energy: -1.886
local terms energy: -715.381302
where:
bonds (distance) C4'-P energy: -125.849
bonds (distance) P-C4' energy: -132.642
flat angles C4'-P-C4' energy: -153.846
flat angles P-C4'-P energy: -102.786
tors. eta vs tors. theta energy: -200.259
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: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2215.757646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.757646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.757646 (E_RNA)
where:
Base-Base interactions energy: -1482.309
where: short stacking energy: -673.232
Base-Backbone interact. energy: -3.058
local terms energy: -730.390923
where:
bonds (distance) C4'-P energy: -132.570
bonds (distance) P-C4' energy: -140.721
flat angles C4'-P-C4' energy: -148.487
flat angles P-C4'-P energy: -106.104
tors. eta vs tors. theta energy: -202.509
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: 345
Temperature: 1.000000
Total energy: -2116.562467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.562467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.562467 (E_RNA)
where:
Base-Base interactions energy: -1483.393
where: short stacking energy: -636.061
Base-Backbone interact. energy: -2.139
local terms energy: -631.030698
where:
bonds (distance) C4'-P energy: -113.187
bonds (distance) P-C4' energy: -115.257
flat angles C4'-P-C4' energy: -140.934
flat angles P-C4'-P energy: -88.423
tors. eta vs tors. theta energy: -173.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2033.830235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.830235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.830235 (E_RNA)
where:
Base-Base interactions energy: -1408.315
where: short stacking energy: -584.110
Base-Backbone interact. energy: -2.509
local terms energy: -623.006699
where:
bonds (distance) C4'-P energy: -108.132
bonds (distance) P-C4' energy: -116.664
flat angles C4'-P-C4' energy: -135.509
flat angles P-C4'-P energy: -97.359
tors. eta vs tors. theta energy: -165.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1900.520050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.520050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.520050 (E_RNA)
where:
Base-Base interactions energy: -1282.370
where: short stacking energy: -574.842
Base-Backbone interact. energy: -1.845
local terms energy: -616.304860
where:
bonds (distance) C4'-P energy: -136.542
bonds (distance) P-C4' energy: -110.853
flat angles C4'-P-C4' energy: -135.090
flat angles P-C4'-P energy: -67.335
tors. eta vs tors. theta energy: -166.484
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: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1753.013989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.013989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.013989 (E_RNA)
where:
Base-Base interactions energy: -1162.791
where: short stacking energy: -521.291
Base-Backbone interact. energy: -0.677
local terms energy: -589.546292
where:
bonds (distance) C4'-P energy: -104.222
bonds (distance) P-C4' energy: -106.583
flat angles C4'-P-C4' energy: -148.113
flat angles P-C4'-P energy: -81.504
tors. eta vs tors. theta energy: -149.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1642.706614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.706614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.706614 (E_RNA)
where:
Base-Base interactions energy: -1085.109
where: short stacking energy: -479.931
Base-Backbone interact. energy: -3.433
local terms energy: -554.164593
where:
bonds (distance) C4'-P energy: -108.931
bonds (distance) P-C4' energy: -107.096
flat angles C4'-P-C4' energy: -130.784
flat angles P-C4'-P energy: -73.459
tors. eta vs tors. theta energy: -133.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1254.021421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.021421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.021421 (E_RNA)
where:
Base-Base interactions energy: -808.497
where: short stacking energy: -371.904
Base-Backbone interact. energy: -1.763
local terms energy: -443.761709
where:
bonds (distance) C4'-P energy: -84.279
bonds (distance) P-C4' energy: -131.113
flat angles C4'-P-C4' energy: -89.262
flat angles P-C4'-P energy: -59.519
tors. eta vs tors. theta energy: -79.589
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: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -915.002033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.002033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.002033 (E_RNA)
where:
Base-Base interactions energy: -509.570
where: short stacking energy: -261.601
Base-Backbone interact. energy: -0.354
local terms energy: -405.078134
where:
bonds (distance) C4'-P energy: -95.008
bonds (distance) P-C4' energy: -127.836
flat angles C4'-P-C4' energy: -114.300
flat angles P-C4'-P energy: -38.331
tors. eta vs tors. theta energy: -29.603
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: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -780.290781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.290781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.290781 (E_RNA)
where:
Base-Base interactions energy: -400.314
where: short stacking energy: -217.533
Base-Backbone interact. energy: 0.617
local terms energy: -380.593381
where:
bonds (distance) C4'-P energy: -117.201
bonds (distance) P-C4' energy: -97.758
flat angles C4'-P-C4' energy: -104.422
flat angles P-C4'-P energy: -54.438
tors. eta vs tors. theta energy: -6.775
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: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2321.479720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.479720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.479720 (E_RNA)
where:
Base-Base interactions energy: -1592.478
where: short stacking energy: -680.390
Base-Backbone interact. energy: -3.196
local terms energy: -725.805053
where:
bonds (distance) C4'-P energy: -135.279
bonds (distance) P-C4' energy: -121.342
flat angles C4'-P-C4' energy: -153.569
flat angles P-C4'-P energy: -107.691
tors. eta vs tors. theta energy: -207.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2218.473253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.473253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.473253 (E_RNA)
where:
Base-Base interactions energy: -1515.989
where: short stacking energy: -666.727
Base-Backbone interact. energy: -1.627
local terms energy: -700.857422
where:
bonds (distance) C4'-P energy: -118.726
bonds (distance) P-C4' energy: -136.300
flat angles C4'-P-C4' energy: -146.540
flat angles P-C4'-P energy: -96.805
tors. eta vs tors. theta energy: -202.486
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: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2108.081869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.081869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.081869 (E_RNA)
where:
Base-Base interactions energy: -1473.333
where: short stacking energy: -619.426
Base-Backbone interact. energy: -2.972
local terms energy: -631.776730
where:
bonds (distance) C4'-P energy: -109.406
bonds (distance) P-C4' energy: -119.040
flat angles C4'-P-C4' energy: -135.151
flat angles P-C4'-P energy: -97.670
tors. eta vs tors. theta energy: -170.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2088.216973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.216973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.216973 (E_RNA)
where:
Base-Base interactions energy: -1423.288
where: short stacking energy: -630.896
Base-Backbone interact. energy: -1.053
local terms energy: -663.876075
where:
bonds (distance) C4'-P energy: -121.075
bonds (distance) P-C4' energy: -120.608
flat angles C4'-P-C4' energy: -143.816
flat angles P-C4'-P energy: -93.334
tors. eta vs tors. theta energy: -185.043
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: 346
Temperature: 1.100000
Total energy: -1933.041215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.041215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.041215 (E_RNA)
where:
Base-Base interactions energy: -1318.328
where: short stacking energy: -573.776
Base-Backbone interact. energy: -1.142
local terms energy: -613.571819
where:
bonds (distance) C4'-P energy: -123.178
bonds (distance) P-C4' energy: -127.880
flat angles C4'-P-C4' energy: -136.555
flat angles P-C4'-P energy: -71.263
tors. eta vs tors. theta energy: -154.696
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: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1755.540455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.540455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.540455 (E_RNA)
where:
Base-Base interactions energy: -1188.795
where: short stacking energy: -522.674
Base-Backbone interact. energy: -0.394
local terms energy: -566.350844
where:
bonds (distance) C4'-P energy: -100.957
bonds (distance) P-C4' energy: -123.088
flat angles C4'-P-C4' energy: -125.938
flat angles P-C4'-P energy: -78.453
tors. eta vs tors. theta energy: -137.916
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: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1682.993630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.993630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.993630 (E_RNA)
where:
Base-Base interactions energy: -1099.534
where: short stacking energy: -481.920
Base-Backbone interact. energy: 2.568
local terms energy: -586.027039
where:
bonds (distance) C4'-P energy: -137.774
bonds (distance) P-C4' energy: -125.790
flat angles C4'-P-C4' energy: -114.363
flat angles P-C4'-P energy: -71.454
tors. eta vs tors. theta energy: -136.646
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: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1286.221988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.221988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.221988 (E_RNA)
where:
Base-Base interactions energy: -832.132
where: short stacking energy: -372.894
Base-Backbone interact. energy: -2.676
local terms energy: -451.414231
where:
bonds (distance) C4'-P energy: -103.489
bonds (distance) P-C4' energy: -114.556
flat angles C4'-P-C4' energy: -121.021
flat angles P-C4'-P energy: -60.053
tors. eta vs tors. theta energy: -52.296
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: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -874.131437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.131437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.131437 (E_RNA)
where:
Base-Base interactions energy: -492.534
where: short stacking energy: -261.522
Base-Backbone interact. energy: 5.828
local terms energy: -387.425353
where:
bonds (distance) C4'-P energy: -96.354
bonds (distance) P-C4' energy: -121.210
flat angles C4'-P-C4' energy: -87.535
flat angles P-C4'-P energy: -74.226
tors. eta vs tors. theta energy: -8.100
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: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -813.371786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.371786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.371786 (E_RNA)
where:
Base-Base interactions energy: -444.793
where: short stacking energy: -238.863
Base-Backbone interact. energy: 2.342
local terms energy: -370.920493
where:
bonds (distance) C4'-P energy: -102.613
bonds (distance) P-C4' energy: -101.806
flat angles C4'-P-C4' energy: -97.863
flat angles P-C4'-P energy: -49.670
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2318.578115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.578115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.578115 (E_RNA)
where:
Base-Base interactions energy: -1584.632
where: short stacking energy: -690.090
Base-Backbone interact. energy: -2.220
local terms energy: -731.726071
where:
bonds (distance) C4'-P energy: -131.233
bonds (distance) P-C4' energy: -128.180
flat angles C4'-P-C4' energy: -155.034
flat angles P-C4'-P energy: -108.273
tors. eta vs tors. theta energy: -209.006
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: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2227.486305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.486305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.486305 (E_RNA)
where:
Base-Base interactions energy: -1490.428
where: short stacking energy: -663.484
Base-Backbone interact. energy: -3.532
local terms energy: -733.526237
where:
bonds (distance) C4'-P energy: -135.925
bonds (distance) P-C4' energy: -135.281
flat angles C4'-P-C4' energy: -143.411
flat angles P-C4'-P energy: -109.405
tors. eta vs tors. theta energy: -209.503
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: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2107.878836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.878836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.878836 (E_RNA)
where:
Base-Base interactions energy: -1469.175
where: short stacking energy: -607.242
Base-Backbone interact. energy: 2.963
local terms energy: -641.666682
where:
bonds (distance) C4'-P energy: -119.912
bonds (distance) P-C4' energy: -130.724
flat angles C4'-P-C4' energy: -137.756
flat angles P-C4'-P energy: -89.561
tors. eta vs tors. theta energy: -163.714
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: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2015.459589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.459589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.459589 (E_RNA)
where:
Base-Base interactions energy: -1379.220
where: short stacking energy: -601.165
Base-Backbone interact. energy: -1.989
local terms energy: -634.250809
where:
bonds (distance) C4'-P energy: -119.483
bonds (distance) P-C4' energy: -102.695
flat angles C4'-P-C4' energy: -138.982
flat angles P-C4'-P energy: -90.653
tors. eta vs tors. theta energy: -182.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1884.574472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.574472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.574472 (E_RNA)
where:
Base-Base interactions energy: -1261.391
where: short stacking energy: -545.395
Base-Backbone interact. energy: -3.020
local terms energy: -620.164361
where:
bonds (distance) C4'-P energy: -125.116
bonds (distance) P-C4' energy: -123.140
flat angles C4'-P-C4' energy: -126.734
flat angles P-C4'-P energy: -92.169
tors. eta vs tors. theta energy: -153.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1787.538858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.538858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.538858 (E_RNA)
where:
Base-Base interactions energy: -1202.303
where: short stacking energy: -513.506
Base-Backbone interact. energy: -1.670
local terms energy: -583.565806
where:
bonds (distance) C4'-P energy: -115.751
bonds (distance) P-C4' energy: -125.832
flat angles C4'-P-C4' energy: -117.640
flat angles P-C4'-P energy: -82.899
tors. eta vs tors. theta energy: -141.444
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: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1565.342650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.342650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.342650 (E_RNA)
where:
Base-Base interactions energy: -1026.591
where: short stacking energy: -467.345
Base-Backbone interact. energy: 1.828
local terms energy: -540.579457
where:
bonds (distance) C4'-P energy: -107.662
bonds (distance) P-C4' energy: -110.446
flat angles C4'-P-C4' energy: -131.260
flat angles P-C4'-P energy: -74.142
tors. eta vs tors. theta energy: -117.070
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: 347
Temperature: 1.250000
Total energy: -1232.414272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.414272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.414272 (E_RNA)
where:
Base-Base interactions energy: -755.738
where: short stacking energy: -351.506
Base-Backbone interact. energy: -0.386
local terms energy: -476.289562
where:
bonds (distance) C4'-P energy: -112.255
bonds (distance) P-C4' energy: -110.435
flat angles C4'-P-C4' energy: -99.963
flat angles P-C4'-P energy: -83.079
tors. eta vs tors. theta energy: -70.558
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: 347
Temperature: 1.300000
Total energy: -873.912835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.912835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.912835 (E_RNA)
where:
Base-Base interactions energy: -507.657
where: short stacking energy: -264.014
Base-Backbone interact. energy: -1.695
local terms energy: -364.560823
where:
bonds (distance) C4'-P energy: -100.683
bonds (distance) P-C4' energy: -107.452
flat angles C4'-P-C4' energy: -84.244
flat angles P-C4'-P energy: -58.286
tors. eta vs tors. theta energy: -13.896
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: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -823.868303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.868303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.868303 (E_RNA)
where:
Base-Base interactions energy: -430.434
where: short stacking energy: -217.781
Base-Backbone interact. energy: 2.117
local terms energy: -395.550878
where:
bonds (distance) C4'-P energy: -122.148
bonds (distance) P-C4' energy: -110.775
flat angles C4'-P-C4' energy: -91.483
flat angles P-C4'-P energy: -63.018
tors. eta vs tors. theta energy: -8.126
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: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2326.408364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.408364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.408364 (E_RNA)
where:
Base-Base interactions energy: -1595.752
where: short stacking energy: -713.767
Base-Backbone interact. energy: -1.281
local terms energy: -729.375929
where:
bonds (distance) C4'-P energy: -123.848
bonds (distance) P-C4' energy: -136.446
flat angles C4'-P-C4' energy: -161.174
flat angles P-C4'-P energy: -101.514
tors. eta vs tors. theta energy: -206.395
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: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2203.996935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.996935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.996935 (E_RNA)
where:
Base-Base interactions energy: -1507.145
where: short stacking energy: -676.524
Base-Backbone interact. energy: -2.782
local terms energy: -694.069911
where:
bonds (distance) C4'-P energy: -106.666
bonds (distance) P-C4' energy: -133.475
flat angles C4'-P-C4' energy: -145.394
flat angles P-C4'-P energy: -104.499
tors. eta vs tors. theta energy: -204.036
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: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2138.367184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.367184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.367184 (E_RNA)
where:
Base-Base interactions energy: -1481.332
where: short stacking energy: -611.084
Base-Backbone interact. energy: -2.454
local terms energy: -654.581326
where:
bonds (distance) C4'-P energy: -126.723
bonds (distance) P-C4' energy: -126.122
flat angles C4'-P-C4' energy: -144.272
flat angles P-C4'-P energy: -94.397
tors. eta vs tors. theta energy: -163.067
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: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2010.448290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.448290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.448290 (E_RNA)
where:
Base-Base interactions energy: -1340.569
where: short stacking energy: -590.220
Base-Backbone interact. energy: -4.199
local terms energy: -665.679916
where:
bonds (distance) C4'-P energy: -111.745
bonds (distance) P-C4' energy: -143.969
flat angles C4'-P-C4' energy: -138.638
flat angles P-C4'-P energy: -99.869
tors. eta vs tors. theta energy: -171.460
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: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1954.479110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.479110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.479110 (E_RNA)
where:
Base-Base interactions energy: -1325.285
where: short stacking energy: -560.343
Base-Backbone interact. energy: -1.585
local terms energy: -627.609525
where:
bonds (distance) C4'-P energy: -116.153
bonds (distance) P-C4' energy: -122.758
flat angles C4'-P-C4' energy: -140.415
flat angles P-C4'-P energy: -88.128
tors. eta vs tors. theta energy: -160.155
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: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1800.183234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.183234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.183234 (E_RNA)
where:
Base-Base interactions energy: -1222.607
where: short stacking energy: -525.190
Base-Backbone interact. energy: 2.003
local terms energy: -579.579462
where:
bonds (distance) C4'-P energy: -108.200
bonds (distance) P-C4' energy: -106.952
flat angles C4'-P-C4' energy: -138.858
flat angles P-C4'-P energy: -85.396
tors. eta vs tors. theta energy: -140.174
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: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1560.482690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.482690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.482690 (E_RNA)
where:
Base-Base interactions energy: -1038.519
where: short stacking energy: -453.607
Base-Backbone interact. energy: -1.296
local terms energy: -520.667418
where:
bonds (distance) C4'-P energy: -113.477
bonds (distance) P-C4' energy: -111.436
flat angles C4'-P-C4' energy: -109.685
flat angles P-C4'-P energy: -79.310
tors. eta vs tors. theta energy: -106.759
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: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1281.153067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.153067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.153067 (E_RNA)
where:
Base-Base interactions energy: -817.800
where: short stacking energy: -369.081
Base-Backbone interact. energy: 6.889
local terms energy: -470.241681
where:
bonds (distance) C4'-P energy: -108.380
bonds (distance) P-C4' energy: -119.651
flat angles C4'-P-C4' energy: -115.043
flat angles P-C4'-P energy: -65.575
tors. eta vs tors. theta energy: -61.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -871.134837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.134837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.134837 (E_RNA)
where:
Base-Base interactions energy: -501.818
where: short stacking energy: -265.141
Base-Backbone interact. energy: 2.439
local terms energy: -371.756321
where:
bonds (distance) C4'-P energy: -101.478
bonds (distance) P-C4' energy: -106.871
flat angles C4'-P-C4' energy: -88.819
flat angles P-C4'-P energy: -65.898
tors. eta vs tors. theta energy: -8.691
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: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -836.967588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.967588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.967588 (E_RNA)
where:
Base-Base interactions energy: -441.567
where: short stacking energy: -226.789
Base-Backbone interact. energy: -1.523
local terms energy: -393.878278
where:
bonds (distance) C4'-P energy: -115.684
bonds (distance) P-C4' energy: -103.926
flat angles C4'-P-C4' energy: -89.551
flat angles P-C4'-P energy: -62.368
tors. eta vs tors. theta energy: -22.349
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: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2316.035369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.035369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.035369 (E_RNA)
where:
Base-Base interactions energy: -1611.546
where: short stacking energy: -677.553
Base-Backbone interact. energy: -1.122
local terms energy: -703.367280
where:
bonds (distance) C4'-P energy: -137.312
bonds (distance) P-C4' energy: -119.389
flat angles C4'-P-C4' energy: -147.687
flat angles P-C4'-P energy: -95.700
tors. eta vs tors. theta energy: -203.280
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: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2242.046023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.046023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.046023 (E_RNA)
where:
Base-Base interactions energy: -1529.063
where: short stacking energy: -678.620
Base-Backbone interact. energy: -3.119
local terms energy: -709.864012
where:
bonds (distance) C4'-P energy: -129.421
bonds (distance) P-C4' energy: -126.115
flat angles C4'-P-C4' energy: -146.934
flat angles P-C4'-P energy: -108.494
tors. eta vs tors. theta energy: -198.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2145.162761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.162761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.162761 (E_RNA)
where:
Base-Base interactions energy: -1500.879
where: short stacking energy: -615.047
Base-Backbone interact. energy: -3.344
local terms energy: -640.939142
where:
bonds (distance) C4'-P energy: -111.120
bonds (distance) P-C4' energy: -120.745
flat angles C4'-P-C4' energy: -143.834
flat angles P-C4'-P energy: -95.717
tors. eta vs tors. theta energy: -169.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2009.981133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.981133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.981133 (E_RNA)
where:
Base-Base interactions energy: -1355.747
where: short stacking energy: -574.232
Base-Backbone interact. energy: -0.238
local terms energy: -653.996093
where:
bonds (distance) C4'-P energy: -126.312
bonds (distance) P-C4' energy: -121.501
flat angles C4'-P-C4' energy: -145.831
flat angles P-C4'-P energy: -98.538
tors. eta vs tors. theta energy: -161.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1934.858383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.858383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.858383 (E_RNA)
where:
Base-Base interactions energy: -1323.395
where: short stacking energy: -558.592
Base-Backbone interact. energy: 0.817
local terms energy: -612.280669
where:
bonds (distance) C4'-P energy: -120.955
bonds (distance) P-C4' energy: -111.189
flat angles C4'-P-C4' energy: -140.614
flat angles P-C4'-P energy: -76.039
tors. eta vs tors. theta energy: -163.484
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: 3
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1763.203244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.203244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.203244 (E_RNA)
where:
Base-Base interactions energy: -1156.362
where: short stacking energy: -516.249
Base-Backbone interact. energy: -3.417
local terms energy: -603.424392
where:
bonds (distance) C4'-P energy: -122.890
bonds (distance) P-C4' energy: -101.754
flat angles C4'-P-C4' energy: -142.584
flat angles P-C4'-P energy: -89.309
tors. eta vs tors. theta energy: -146.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1586.733613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.733613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.733613 (E_RNA)
where:
Base-Base interactions energy: -1072.445
where: short stacking energy: -483.594
Base-Backbone interact. energy: 8.580
local terms energy: -522.867886
where:
bonds (distance) C4'-P energy: -107.474
bonds (distance) P-C4' energy: -119.012
flat angles C4'-P-C4' energy: -106.979
flat angles P-C4'-P energy: -76.096
tors. eta vs tors. theta energy: -113.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1271.319967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.319967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.319967 (E_RNA)
where:
Base-Base interactions energy: -795.811
where: short stacking energy: -343.986
Base-Backbone interact. energy: -0.998
local terms energy: -474.510368
where:
bonds (distance) C4'-P energy: -106.730
bonds (distance) P-C4' energy: -123.168
flat angles C4'-P-C4' energy: -97.215
flat angles P-C4'-P energy: -86.656
tors. eta vs tors. theta energy: -60.741
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: 349
Temperature: 1.300000
Total energy: -940.854610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.854610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.854610 (E_RNA)
where:
Base-Base interactions energy: -542.021
where: short stacking energy: -272.807
Base-Backbone interact. energy: 1.703
local terms energy: -400.537413
where:
bonds (distance) C4'-P energy: -96.393
bonds (distance) P-C4' energy: -105.570
flat angles C4'-P-C4' energy: -106.925
flat angles P-C4'-P energy: -66.064
tors. eta vs tors. theta energy: -25.586
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: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -790.019155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.019155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.019155 (E_RNA)
where:
Base-Base interactions energy: -436.285
where: short stacking energy: -230.161
Base-Backbone interact. energy: 3.481
local terms energy: -357.215580
where:
bonds (distance) C4'-P energy: -99.496
bonds (distance) P-C4' energy: -116.165
flat angles C4'-P-C4' energy: -99.728
flat angles P-C4'-P energy: -52.314
tors. eta vs tors. theta energy: 10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2316.687699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.687699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.687699 (E_RNA)
where:
Base-Base interactions energy: -1591.682
where: short stacking energy: -669.654
Base-Backbone interact. energy: -2.644
local terms energy: -722.362122
where:
bonds (distance) C4'-P energy: -130.872
bonds (distance) P-C4' energy: -119.082
flat angles C4'-P-C4' energy: -155.694
flat angles P-C4'-P energy: -106.603
tors. eta vs tors. theta energy: -210.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2238.068216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.068216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.068216 (E_RNA)
where:
Base-Base interactions energy: -1526.848
where: short stacking energy: -689.051
Base-Backbone interact. energy: -1.233
local terms energy: -709.986729
where:
bonds (distance) C4'-P energy: -129.720
bonds (distance) P-C4' energy: -131.500
flat angles C4'-P-C4' energy: -149.467
flat angles P-C4'-P energy: -93.020
tors. eta vs tors. theta energy: -206.279
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: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2145.965797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.965797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.965797 (E_RNA)
where:
Base-Base interactions energy: -1480.939
where: short stacking energy: -617.837
Base-Backbone interact. energy: 2.629
local terms energy: -667.655866
where:
bonds (distance) C4'-P energy: -124.043
bonds (distance) P-C4' energy: -133.845
flat angles C4'-P-C4' energy: -148.274
flat angles P-C4'-P energy: -87.648
tors. eta vs tors. theta energy: -173.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1993.556219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.556219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.556219 (E_RNA)
where:
Base-Base interactions energy: -1365.418
where: short stacking energy: -601.006
Base-Backbone interact. energy: -2.971
local terms energy: -625.166831
where:
bonds (distance) C4'-P energy: -110.429
bonds (distance) P-C4' energy: -109.709
flat angles C4'-P-C4' energy: -134.723
flat angles P-C4'-P energy: -99.322
tors. eta vs tors. theta energy: -170.985
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: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1938.605670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.605670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.605670 (E_RNA)
where:
Base-Base interactions energy: -1302.103
where: short stacking energy: -583.291
Base-Backbone interact. energy: -0.328
local terms energy: -636.174946
where:
bonds (distance) C4'-P energy: -113.581
bonds (distance) P-C4' energy: -136.343
flat angles C4'-P-C4' energy: -129.427
flat angles P-C4'-P energy: -85.022
tors. eta vs tors. theta energy: -171.802
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: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1716.773319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.773319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.773319 (E_RNA)
where:
Base-Base interactions energy: -1115.434
where: short stacking energy: -503.854
Base-Backbone interact. energy: -1.200
local terms energy: -600.139401
where:
bonds (distance) C4'-P energy: -120.072
bonds (distance) P-C4' energy: -118.967
flat angles C4'-P-C4' energy: -116.616
flat angles P-C4'-P energy: -93.241
tors. eta vs tors. theta energy: -151.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1595.455044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.455044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.455044 (E_RNA)
where:
Base-Base interactions energy: -1050.456
where: short stacking energy: -465.700
Base-Backbone interact. energy: 1.827
local terms energy: -546.826610
where:
bonds (distance) C4'-P energy: -119.610
bonds (distance) P-C4' energy: -113.412
flat angles C4'-P-C4' energy: -125.903
flat angles P-C4'-P energy: -80.590
tors. eta vs tors. theta energy: -107.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1359.463555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.463555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.463555 (E_RNA)
where:
Base-Base interactions energy: -856.783
where: short stacking energy: -406.466
Base-Backbone interact. energy: -0.321
local terms energy: -502.359781
where:
bonds (distance) C4'-P energy: -98.239
bonds (distance) P-C4' energy: -103.002
flat angles C4'-P-C4' energy: -121.959
flat angles P-C4'-P energy: -71.232
tors. eta vs tors. theta energy: -107.929
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: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -871.547924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.547924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.547924 (E_RNA)
where:
Base-Base interactions energy: -494.813
where: short stacking energy: -261.133
Base-Backbone interact. energy: 1.435
local terms energy: -378.170250
where:
bonds (distance) C4'-P energy: -118.923
bonds (distance) P-C4' energy: -114.645
flat angles C4'-P-C4' energy: -73.357
flat angles P-C4'-P energy: -57.523
tors. eta vs tors. theta energy: -13.722
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: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -809.440579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.440579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.440579 (E_RNA)
where:
Base-Base interactions energy: -431.815
where: short stacking energy: -237.946
Base-Backbone interact. energy: 0.540
local terms energy: -378.165865
where:
bonds (distance) C4'-P energy: -99.158
bonds (distance) P-C4' energy: -124.799
flat angles C4'-P-C4' energy: -88.353
flat angles P-C4'-P energy: -55.970
tors. eta vs tors. theta energy: -9.886
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: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2307.081854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.081854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.081854 (E_RNA)
where:
Base-Base interactions energy: -1575.641
where: short stacking energy: -701.325
Base-Backbone interact. energy: -0.779
local terms energy: -730.661562
where:
bonds (distance) C4'-P energy: -120.063
bonds (distance) P-C4' energy: -144.757
flat angles C4'-P-C4' energy: -145.496
flat angles P-C4'-P energy: -106.825
tors. eta vs tors. theta energy: -213.520
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: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2210.963655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.963655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.963655 (E_RNA)
where:
Base-Base interactions energy: -1543.588
where: short stacking energy: -660.539
Base-Backbone interact. energy: 0.956
local terms energy: -668.332025
where:
bonds (distance) C4'-P energy: -126.694
bonds (distance) P-C4' energy: -127.813
flat angles C4'-P-C4' energy: -149.655
flat angles P-C4'-P energy: -84.276
tors. eta vs tors. theta energy: -179.894
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: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2172.067284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.067284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.067284 (E_RNA)
where:
Base-Base interactions energy: -1477.714
where: short stacking energy: -653.912
Base-Backbone interact. energy: -4.274
local terms energy: -690.079665
where:
bonds (distance) C4'-P energy: -126.373
bonds (distance) P-C4' energy: -128.695
flat angles C4'-P-C4' energy: -142.476
flat angles P-C4'-P energy: -95.909
tors. eta vs tors. theta energy: -196.626
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: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2008.094843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.094843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.094843 (E_RNA)
where:
Base-Base interactions energy: -1342.819
where: short stacking energy: -587.163
Base-Backbone interact. energy: -4.035
local terms energy: -661.241349
where:
bonds (distance) C4'-P energy: -124.972
bonds (distance) P-C4' energy: -118.227
flat angles C4'-P-C4' energy: -138.900
flat angles P-C4'-P energy: -99.223
tors. eta vs tors. theta energy: -179.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1965.065172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.065172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.065172 (E_RNA)
where:
Base-Base interactions energy: -1373.445
where: short stacking energy: -565.958
Base-Backbone interact. energy: -0.412
local terms energy: -591.207794
where:
bonds (distance) C4'-P energy: -94.627
bonds (distance) P-C4' energy: -118.340
flat angles C4'-P-C4' energy: -129.968
flat angles P-C4'-P energy: -85.984
tors. eta vs tors. theta energy: -162.289
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: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1737.490217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.490217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.490217 (E_RNA)
where:
Base-Base interactions energy: -1179.122
where: short stacking energy: -509.487
Base-Backbone interact. energy: -1.720
local terms energy: -556.647980
where:
bonds (distance) C4'-P energy: -113.624
bonds (distance) P-C4' energy: -120.233
flat angles C4'-P-C4' energy: -116.354
flat angles P-C4'-P energy: -73.174
tors. eta vs tors. theta energy: -133.262
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: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1567.863724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.863724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.863724 (E_RNA)
where:
Base-Base interactions energy: -1027.514
where: short stacking energy: -486.544
Base-Backbone interact. energy: -0.067
local terms energy: -540.282361
where:
bonds (distance) C4'-P energy: -118.987
bonds (distance) P-C4' energy: -111.939
flat angles C4'-P-C4' energy: -121.910
flat angles P-C4'-P energy: -68.906
tors. eta vs tors. theta energy: -118.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1321.520097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.520097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.520097 (E_RNA)
where:
Base-Base interactions energy: -836.200
where: short stacking energy: -374.278
Base-Backbone interact. energy: -0.269
local terms energy: -485.051084
where:
bonds (distance) C4'-P energy: -117.439
bonds (distance) P-C4' energy: -108.530
flat angles C4'-P-C4' energy: -109.773
flat angles P-C4'-P energy: -78.363
tors. eta vs tors. theta energy: -70.947
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: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -899.965894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.965894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.965894 (E_RNA)
where:
Base-Base interactions energy: -514.514
where: short stacking energy: -246.673
Base-Backbone interact. energy: 2.396
local terms energy: -387.847216
where:
bonds (distance) C4'-P energy: -99.113
bonds (distance) P-C4' energy: -107.125
flat angles C4'-P-C4' energy: -106.494
flat angles P-C4'-P energy: -62.158
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -839.434599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.434599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.434599 (E_RNA)
where:
Base-Base interactions energy: -453.008
where: short stacking energy: -235.572
Base-Backbone interact. energy: 9.631
local terms energy: -396.056825
where:
bonds (distance) C4'-P energy: -90.698
bonds (distance) P-C4' energy: -121.138
flat angles C4'-P-C4' energy: -100.645
flat angles P-C4'-P energy: -61.668
tors. eta vs tors. theta energy: -21.909
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: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2304.018417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.018417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.018417 (E_RNA)
where:
Base-Base interactions energy: -1574.066
where: short stacking energy: -681.027
Base-Backbone interact. energy: -0.953
local terms energy: -728.999651
where:
bonds (distance) C4'-P energy: -122.550
bonds (distance) P-C4' energy: -132.392
flat angles C4'-P-C4' energy: -159.009
flat angles P-C4'-P energy: -105.739
tors. eta vs tors. theta energy: -209.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2217.644278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.644278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.644278 (E_RNA)
where:
Base-Base interactions energy: -1534.630
where: short stacking energy: -627.569
Base-Backbone interact. energy: -1.481
local terms energy: -681.533099
where:
bonds (distance) C4'-P energy: -120.039
bonds (distance) P-C4' energy: -131.519
flat angles C4'-P-C4' energy: -158.295
flat angles P-C4'-P energy: -98.520
tors. eta vs tors. theta energy: -173.160
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: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2202.605324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.605324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.605324 (E_RNA)
where:
Base-Base interactions energy: -1492.437
where: short stacking energy: -671.295
Base-Backbone interact. energy: -1.602
local terms energy: -708.566668
where:
bonds (distance) C4'-P energy: -129.746
bonds (distance) P-C4' energy: -139.411
flat angles C4'-P-C4' energy: -145.526
flat angles P-C4'-P energy: -93.061
tors. eta vs tors. theta energy: -200.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2014.995780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.995780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.995780 (E_RNA)
where:
Base-Base interactions energy: -1365.328
where: short stacking energy: -593.634
Base-Backbone interact. energy: -3.109
local terms energy: -646.559426
where:
bonds (distance) C4'-P energy: -105.168
bonds (distance) P-C4' energy: -128.101
flat angles C4'-P-C4' energy: -143.424
flat angles P-C4'-P energy: -90.198
tors. eta vs tors. theta energy: -179.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1930.149419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.149419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.149419 (E_RNA)
where:
Base-Base interactions energy: -1316.970
where: short stacking energy: -563.848
Base-Backbone interact. energy: -2.934
local terms energy: -610.245272
where:
bonds (distance) C4'-P energy: -107.179
bonds (distance) P-C4' energy: -112.576
flat angles C4'-P-C4' energy: -152.457
flat angles P-C4'-P energy: -87.232
tors. eta vs tors. theta energy: -150.802
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: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1763.208763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.208763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.208763 (E_RNA)
where:
Base-Base interactions energy: -1142.188
where: short stacking energy: -534.161
Base-Backbone interact. energy: -0.023
local terms energy: -620.998200
where:
bonds (distance) C4'-P energy: -109.703
bonds (distance) P-C4' energy: -124.555
flat angles C4'-P-C4' energy: -129.839
flat angles P-C4'-P energy: -101.876
tors. eta vs tors. theta energy: -155.025
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: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1547.207741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.207741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.207741 (E_RNA)
where:
Base-Base interactions energy: -996.421
where: short stacking energy: -456.428
Base-Backbone interact. energy: 0.210
local terms energy: -550.996734
where:
bonds (distance) C4'-P energy: -110.651
bonds (distance) P-C4' energy: -121.440
flat angles C4'-P-C4' energy: -125.986
flat angles P-C4'-P energy: -83.213
tors. eta vs tors. theta energy: -109.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1265.742798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.742798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.742798 (E_RNA)
where:
Base-Base interactions energy: -769.044
where: short stacking energy: -368.976
Base-Backbone interact. energy: 3.459
local terms energy: -500.157395
where:
bonds (distance) C4'-P energy: -103.913
bonds (distance) P-C4' energy: -122.326
flat angles C4'-P-C4' energy: -117.102
flat angles P-C4'-P energy: -76.539
tors. eta vs tors. theta energy: -80.278
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: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -922.925362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.925362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.925362 (E_RNA)
where:
Base-Base interactions energy: -512.285
where: short stacking energy: -257.012
Base-Backbone interact. energy: 6.979
local terms energy: -417.619554
where:
bonds (distance) C4'-P energy: -111.742
bonds (distance) P-C4' energy: -116.707
flat angles C4'-P-C4' energy: -101.562
flat angles P-C4'-P energy: -61.305
tors. eta vs tors. theta energy: -26.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -830.818200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.818200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.818200 (E_RNA)
where:
Base-Base interactions energy: -488.027
where: short stacking energy: -279.067
Base-Backbone interact. energy: -0.379
local terms energy: -342.411795
where:
bonds (distance) C4'-P energy: -74.115
bonds (distance) P-C4' energy: -112.456
flat angles C4'-P-C4' energy: -90.499
flat angles P-C4'-P energy: -52.882
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2279.547498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.547498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.547498 (E_RNA)
where:
Base-Base interactions energy: -1548.384
where: short stacking energy: -673.970
Base-Backbone interact. energy: -3.893
local terms energy: -727.270655
where:
bonds (distance) C4'-P energy: -141.789
bonds (distance) P-C4' energy: -137.223
flat angles C4'-P-C4' energy: -142.325
flat angles P-C4'-P energy: -105.418
tors. eta vs tors. theta energy: -200.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2267.148931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.148931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.148931 (E_RNA)
where:
Base-Base interactions energy: -1545.675
where: short stacking energy: -682.001
Base-Backbone interact. energy: -2.475
local terms energy: -718.999410
where:
bonds (distance) C4'-P energy: -135.384
bonds (distance) P-C4' energy: -121.432
flat angles C4'-P-C4' energy: -150.513
flat angles P-C4'-P energy: -100.935
tors. eta vs tors. theta energy: -210.735
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2130.456478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.456478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.456478 (E_RNA)
where:
Base-Base interactions energy: -1461.437
where: short stacking energy: -615.010
Base-Backbone interact. energy: -4.144
local terms energy: -664.874661
where:
bonds (distance) C4'-P energy: -129.541
bonds (distance) P-C4' energy: -128.481
flat angles C4'-P-C4' energy: -145.158
flat angles P-C4'-P energy: -85.971
tors. eta vs tors. theta energy: -175.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2030.923863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.923863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.923863 (E_RNA)
where:
Base-Base interactions energy: -1357.055
where: short stacking energy: -592.131
Base-Backbone interact. energy: -2.861
local terms energy: -671.008210
where:
bonds (distance) C4'-P energy: -132.330
bonds (distance) P-C4' energy: -132.098
flat angles C4'-P-C4' energy: -146.631
flat angles P-C4'-P energy: -90.094
tors. eta vs tors. theta energy: -169.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1889.878152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.878152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.878152 (E_RNA)
where:
Base-Base interactions energy: -1287.632
where: short stacking energy: -524.772
Base-Backbone interact. energy: -0.889
local terms energy: -601.357082
where:
bonds (distance) C4'-P energy: -122.969
bonds (distance) P-C4' energy: -118.099
flat angles C4'-P-C4' energy: -136.906
flat angles P-C4'-P energy: -85.887
tors. eta vs tors. theta energy: -137.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1746.018064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.018064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.018064 (E_RNA)
where:
Base-Base interactions energy: -1178.648
where: short stacking energy: -527.186
Base-Backbone interact. energy: -2.218
local terms energy: -565.152476
where:
bonds (distance) C4'-P energy: -114.639
bonds (distance) P-C4' energy: -101.115
flat angles C4'-P-C4' energy: -128.328
flat angles P-C4'-P energy: -81.557
tors. eta vs tors. theta energy: -139.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1559.266529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.266529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.266529 (E_RNA)
where:
Base-Base interactions energy: -1040.198
where: short stacking energy: -449.446
Base-Backbone interact. energy: 2.769
local terms energy: -521.837838
where:
bonds (distance) C4'-P energy: -112.009
bonds (distance) P-C4' energy: -110.068
flat angles C4'-P-C4' energy: -131.248
flat angles P-C4'-P energy: -74.620
tors. eta vs tors. theta energy: -93.892
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: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1271.383723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.383723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.383723 (E_RNA)
where:
Base-Base interactions energy: -808.945
where: short stacking energy: -378.587
Base-Backbone interact. energy: -1.656
local terms energy: -460.782796
where:
bonds (distance) C4'-P energy: -89.110
bonds (distance) P-C4' energy: -118.878
flat angles C4'-P-C4' energy: -107.483
flat angles P-C4'-P energy: -72.141
tors. eta vs tors. theta energy: -73.171
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: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -941.400679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.400679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.400679 (E_RNA)
where:
Base-Base interactions energy: -533.318
where: short stacking energy: -271.247
Base-Backbone interact. energy: 1.036
local terms energy: -409.118957
where:
bonds (distance) C4'-P energy: -104.560
bonds (distance) P-C4' energy: -119.912
flat angles C4'-P-C4' energy: -105.846
flat angles P-C4'-P energy: -57.999
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: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -863.668883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.668883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.668883 (E_RNA)
where:
Base-Base interactions energy: -498.529
where: short stacking energy: -258.799
Base-Backbone interact. energy: 0.545
local terms energy: -365.684359
where:
bonds (distance) C4'-P energy: -84.199
bonds (distance) P-C4' energy: -112.168
flat angles C4'-P-C4' energy: -95.558
flat angles P-C4'-P energy: -49.407
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2286.781375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.781375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.781375 (E_RNA)
where:
Base-Base interactions energy: -1571.205
where: short stacking energy: -680.012
Base-Backbone interact. energy: -1.955
local terms energy: -713.621180
where:
bonds (distance) C4'-P energy: -115.861
bonds (distance) P-C4' energy: -141.124
flat angles C4'-P-C4' energy: -147.568
flat angles P-C4'-P energy: -101.535
tors. eta vs tors. theta energy: -207.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2272.244153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.244153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.244153 (E_RNA)
where:
Base-Base interactions energy: -1572.204
where: short stacking energy: -668.221
Base-Backbone interact. energy: -1.573
local terms energy: -698.466802
where:
bonds (distance) C4'-P energy: -116.644
bonds (distance) P-C4' energy: -132.629
flat angles C4'-P-C4' energy: -141.904
flat angles P-C4'-P energy: -104.497
tors. eta vs tors. theta energy: -202.793
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: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2117.583308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.583308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.583308 (E_RNA)
where:
Base-Base interactions energy: -1446.316
where: short stacking energy: -626.961
Base-Backbone interact. energy: -2.846
local terms energy: -668.421679
where:
bonds (distance) C4'-P energy: -130.488
bonds (distance) P-C4' energy: -134.584
flat angles C4'-P-C4' energy: -126.168
flat angles P-C4'-P energy: -109.223
tors. eta vs tors. theta energy: -167.960
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: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1982.431448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.431448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.431448 (E_RNA)
where:
Base-Base interactions energy: -1370.004
where: short stacking energy: -613.945
Base-Backbone interact. energy: -0.130
local terms energy: -612.296927
where:
bonds (distance) C4'-P energy: -113.639
bonds (distance) P-C4' energy: -98.538
flat angles C4'-P-C4' energy: -140.497
flat angles P-C4'-P energy: -83.564
tors. eta vs tors. theta energy: -176.060
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: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1893.698540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.698540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.698540 (E_RNA)
where:
Base-Base interactions energy: -1271.361
where: short stacking energy: -556.396
Base-Backbone interact. energy: -0.531
local terms energy: -621.806347
where:
bonds (distance) C4'-P energy: -117.302
bonds (distance) P-C4' energy: -120.145
flat angles C4'-P-C4' energy: -130.765
flat angles P-C4'-P energy: -86.306
tors. eta vs tors. theta energy: -167.290
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: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1736.953772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.953772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.953772 (E_RNA)
where:
Base-Base interactions energy: -1127.795
where: short stacking energy: -495.854
Base-Backbone interact. energy: 3.924
local terms energy: -613.082933
where:
bonds (distance) C4'-P energy: -122.233
bonds (distance) P-C4' energy: -118.674
flat angles C4'-P-C4' energy: -149.878
flat angles P-C4'-P energy: -79.811
tors. eta vs tors. theta energy: -142.487
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: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1505.309863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.309863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.309863 (E_RNA)
where:
Base-Base interactions energy: -976.558
where: short stacking energy: -408.098
Base-Backbone interact. energy: -0.813
local terms energy: -527.939608
where:
bonds (distance) C4'-P energy: -118.534
bonds (distance) P-C4' energy: -116.380
flat angles C4'-P-C4' energy: -117.645
flat angles P-C4'-P energy: -76.163
tors. eta vs tors. theta energy: -99.217
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: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1251.634917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.634917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.634917 (E_RNA)
where:
Base-Base interactions energy: -764.751
where: short stacking energy: -348.133
Base-Backbone interact. energy: -2.320
local terms energy: -484.564272
where:
bonds (distance) C4'-P energy: -117.772
bonds (distance) P-C4' energy: -110.021
flat angles C4'-P-C4' energy: -104.526
flat angles P-C4'-P energy: -78.389
tors. eta vs tors. theta energy: -73.857
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: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -912.430799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.430799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.430799 (E_RNA)
where:
Base-Base interactions energy: -492.758
where: short stacking energy: -229.897
Base-Backbone interact. energy: -4.011
local terms energy: -415.662149
where:
bonds (distance) C4'-P energy: -115.359
bonds (distance) P-C4' energy: -115.680
flat angles C4'-P-C4' energy: -109.040
flat angles P-C4'-P energy: -61.594
tors. eta vs tors. theta energy: -13.988
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -851.513064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.513064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.513064 (E_RNA)
where:
Base-Base interactions energy: -475.645
where: short stacking energy: -244.121
Base-Backbone interact. energy: 2.490
local terms energy: -378.357677
where:
bonds (distance) C4'-P energy: -105.097
bonds (distance) P-C4' energy: -118.472
flat angles C4'-P-C4' energy: -95.324
flat angles P-C4'-P energy: -50.115
tors. eta vs tors. theta energy: -9.349
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: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2295.308020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.308020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.308020 (E_RNA)
where:
Base-Base interactions energy: -1562.534
where: short stacking energy: -665.252
Base-Backbone interact. energy: -2.903
local terms energy: -729.871133
where:
bonds (distance) C4'-P energy: -126.369
bonds (distance) P-C4' energy: -134.236
flat angles C4'-P-C4' energy: -156.299
flat angles P-C4'-P energy: -106.234
tors. eta vs tors. theta energy: -206.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2266.883443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.883443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.883443 (E_RNA)
where:
Base-Base interactions energy: -1569.416
where: short stacking energy: -681.349
Base-Backbone interact. energy: -2.735
local terms energy: -694.732162
where:
bonds (distance) C4'-P energy: -122.443
bonds (distance) P-C4' energy: -118.334
flat angles C4'-P-C4' energy: -156.347
flat angles P-C4'-P energy: -90.729
tors. eta vs tors. theta energy: -206.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2121.945008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.945008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.945008 (E_RNA)
where:
Base-Base interactions energy: -1445.345
where: short stacking energy: -619.761
Base-Backbone interact. energy: -3.777
local terms energy: -672.823732
where:
bonds (distance) C4'-P energy: -118.196
bonds (distance) P-C4' energy: -133.970
flat angles C4'-P-C4' energy: -159.300
flat angles P-C4'-P energy: -84.014
tors. eta vs tors. theta energy: -177.343
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: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1957.796394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.796394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.796394 (E_RNA)
where:
Base-Base interactions energy: -1323.925
where: short stacking energy: -584.538
Base-Backbone interact. energy: -0.378
local terms energy: -633.493687
where:
bonds (distance) C4'-P energy: -114.414
bonds (distance) P-C4' energy: -122.087
flat angles C4'-P-C4' energy: -144.974
flat angles P-C4'-P energy: -100.609
tors. eta vs tors. theta energy: -151.410
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: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1898.371522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.371522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.371522 (E_RNA)
where:
Base-Base interactions energy: -1293.549
where: short stacking energy: -561.716
Base-Backbone interact. energy: -0.979
local terms energy: -603.843313
where:
bonds (distance) C4'-P energy: -114.839
bonds (distance) P-C4' energy: -116.413
flat angles C4'-P-C4' energy: -128.624
flat angles P-C4'-P energy: -87.892
tors. eta vs tors. theta energy: -156.076
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: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1711.919091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.919091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.919091 (E_RNA)
where:
Base-Base interactions energy: -1138.453
where: short stacking energy: -509.386
Base-Backbone interact. energy: -2.460
local terms energy: -571.006081
where:
bonds (distance) C4'-P energy: -112.173
bonds (distance) P-C4' energy: -114.477
flat angles C4'-P-C4' energy: -136.985
flat angles P-C4'-P energy: -68.991
tors. eta vs tors. theta energy: -138.381
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: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1540.225600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.225600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.225600 (E_RNA)
where:
Base-Base interactions energy: -997.874
where: short stacking energy: -438.705
Base-Backbone interact. energy: -2.913
local terms energy: -539.438408
where:
bonds (distance) C4'-P energy: -111.334
bonds (distance) P-C4' energy: -109.896
flat angles C4'-P-C4' energy: -119.057
flat angles P-C4'-P energy: -92.681
tors. eta vs tors. theta energy: -106.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1285.814426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.814426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.814426 (E_RNA)
where:
Base-Base interactions energy: -796.938
where: short stacking energy: -379.044
Base-Backbone interact. energy: -1.529
local terms energy: -487.347900
where:
bonds (distance) C4'-P energy: -112.037
bonds (distance) P-C4' energy: -111.394
flat angles C4'-P-C4' energy: -109.019
flat angles P-C4'-P energy: -78.140
tors. eta vs tors. theta energy: -76.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -895.775029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.775029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.775029 (E_RNA)
where:
Base-Base interactions energy: -528.088
where: short stacking energy: -276.046
Base-Backbone interact. energy: -1.454
local terms energy: -366.233333
where:
bonds (distance) C4'-P energy: -93.321
bonds (distance) P-C4' energy: -133.314
flat angles C4'-P-C4' energy: -93.745
flat angles P-C4'-P energy: -32.815
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -875.166612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.166612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.166612 (E_RNA)
where:
Base-Base interactions energy: -530.636
where: short stacking energy: -279.804
Base-Backbone interact. energy: -0.839
local terms energy: -343.691498
where:
bonds (distance) C4'-P energy: -82.963
bonds (distance) P-C4' energy: -89.929
flat angles C4'-P-C4' energy: -93.411
flat angles P-C4'-P energy: -62.706
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2284.645253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.645253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.645253 (E_RNA)
where:
Base-Base interactions energy: -1577.006
where: short stacking energy: -652.810
Base-Backbone interact. energy: -2.185
local terms energy: -705.454422
where:
bonds (distance) C4'-P energy: -120.328
bonds (distance) P-C4' energy: -129.343
flat angles C4'-P-C4' energy: -144.876
flat angles P-C4'-P energy: -103.948
tors. eta vs tors. theta energy: -206.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2255.291358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.291358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.291358 (E_RNA)
where:
Base-Base interactions energy: -1540.773
where: short stacking energy: -667.049
Base-Backbone interact. energy: -1.618
local terms energy: -712.900274
where:
bonds (distance) C4'-P energy: -125.460
bonds (distance) P-C4' energy: -125.609
flat angles C4'-P-C4' energy: -155.773
flat angles P-C4'-P energy: -107.622
tors. eta vs tors. theta energy: -198.437
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: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2141.969841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.969841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.969841 (E_RNA)
where:
Base-Base interactions energy: -1492.864
where: short stacking energy: -618.488
Base-Backbone interact. energy: -3.593
local terms energy: -645.513241
where:
bonds (distance) C4'-P energy: -124.777
bonds (distance) P-C4' energy: -118.160
flat angles C4'-P-C4' energy: -136.976
flat angles P-C4'-P energy: -96.580
tors. eta vs tors. theta energy: -169.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1943.270029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.270029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.270029 (E_RNA)
where:
Base-Base interactions energy: -1309.025
where: short stacking energy: -585.039
Base-Backbone interact. energy: -4.262
local terms energy: -629.982668
where:
bonds (distance) C4'-P energy: -113.497
bonds (distance) P-C4' energy: -124.570
flat angles C4'-P-C4' energy: -140.769
flat angles P-C4'-P energy: -88.381
tors. eta vs tors. theta energy: -162.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1921.488215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.488215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.488215 (E_RNA)
where:
Base-Base interactions energy: -1312.255
where: short stacking energy: -547.559
Base-Backbone interact. energy: -1.008
local terms energy: -608.225153
where:
bonds (distance) C4'-P energy: -105.305
bonds (distance) P-C4' energy: -122.657
flat angles C4'-P-C4' energy: -130.933
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -161.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1790.132538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.132538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.132538 (E_RNA)
where:
Base-Base interactions energy: -1162.382
where: short stacking energy: -494.478
Base-Backbone interact. energy: -4.331
local terms energy: -623.419420
where:
bonds (distance) C4'-P energy: -118.252
bonds (distance) P-C4' energy: -136.826
flat angles C4'-P-C4' energy: -140.006
flat angles P-C4'-P energy: -90.465
tors. eta vs tors. theta energy: -137.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1528.617439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.617439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.617439 (E_RNA)
where:
Base-Base interactions energy: -992.473
where: short stacking energy: -440.430
Base-Backbone interact. energy: 1.767
local terms energy: -537.911344
where:
bonds (distance) C4'-P energy: -112.220
bonds (distance) P-C4' energy: -119.728
flat angles C4'-P-C4' energy: -120.260
flat angles P-C4'-P energy: -81.616
tors. eta vs tors. theta energy: -104.087
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: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1275.266708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.266708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.266708 (E_RNA)
where:
Base-Base interactions energy: -805.203
where: short stacking energy: -353.173
Base-Backbone interact. energy: 2.013
local terms energy: -472.077152
where:
bonds (distance) C4'-P energy: -89.080
bonds (distance) P-C4' energy: -120.135
flat angles C4'-P-C4' energy: -124.701
flat angles P-C4'-P energy: -70.209
tors. eta vs tors. theta energy: -67.952
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: 356
Temperature: 1.300000
Total energy: -918.425599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.425599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.425599 (E_RNA)
where:
Base-Base interactions energy: -492.519
where: short stacking energy: -261.666
Base-Backbone interact. energy: -1.237
local terms energy: -424.669349
where:
bonds (distance) C4'-P energy: -99.382
bonds (distance) P-C4' energy: -120.104
flat angles C4'-P-C4' energy: -113.432
flat angles P-C4'-P energy: -56.500
tors. eta vs tors. theta energy: -35.251
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: 356
Temperature: 1.350000
Total energy: -871.523083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.523083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.523083 (E_RNA)
where:
Base-Base interactions energy: -490.202
where: short stacking energy: -248.801
Base-Backbone interact. energy: -2.331
local terms energy: -378.989605
where:
bonds (distance) C4'-P energy: -96.578
bonds (distance) P-C4' energy: -93.848
flat angles C4'-P-C4' energy: -114.899
flat angles P-C4'-P energy: -59.719
tors. eta vs tors. theta energy: -13.945
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: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2286.715035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.715035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.715035 (E_RNA)
where:
Base-Base interactions energy: -1551.973
where: short stacking energy: -679.864
Base-Backbone interact. energy: -2.074
local terms energy: -732.667840
where:
bonds (distance) C4'-P energy: -126.458
bonds (distance) P-C4' energy: -132.551
flat angles C4'-P-C4' energy: -151.970
flat angles P-C4'-P energy: -112.926
tors. eta vs tors. theta energy: -208.763
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: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2280.084456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.084456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.084456 (E_RNA)
where:
Base-Base interactions energy: -1578.269
where: short stacking energy: -673.520
Base-Backbone interact. energy: -0.797
local terms energy: -701.018496
where:
bonds (distance) C4'-P energy: -121.767
bonds (distance) P-C4' energy: -126.543
flat angles C4'-P-C4' energy: -153.145
flat angles P-C4'-P energy: -102.699
tors. eta vs tors. theta energy: -196.865
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: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2164.771149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.771149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.771149 (E_RNA)
where:
Base-Base interactions energy: -1502.501
where: short stacking energy: -652.875
Base-Backbone interact. energy: 0.878
local terms energy: -663.148469
where:
bonds (distance) C4'-P energy: -140.177
bonds (distance) P-C4' energy: -110.405
flat angles C4'-P-C4' energy: -134.268
flat angles P-C4'-P energy: -100.009
tors. eta vs tors. theta energy: -178.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1943.182974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.182974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.182974 (E_RNA)
where:
Base-Base interactions energy: -1312.172
where: short stacking energy: -570.370
Base-Backbone interact. energy: -3.407
local terms energy: -627.604231
where:
bonds (distance) C4'-P energy: -114.319
bonds (distance) P-C4' energy: -121.404
flat angles C4'-P-C4' energy: -144.366
flat angles P-C4'-P energy: -93.312
tors. eta vs tors. theta energy: -154.203
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: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1896.030279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.030279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.030279 (E_RNA)
where:
Base-Base interactions energy: -1298.688
where: short stacking energy: -557.573
Base-Backbone interact. energy: 1.427
local terms energy: -598.769119
where:
bonds (distance) C4'-P energy: -106.820
bonds (distance) P-C4' energy: -125.680
flat angles C4'-P-C4' energy: -133.662
flat angles P-C4'-P energy: -83.029
tors. eta vs tors. theta energy: -149.579
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: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1822.577069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.577069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.577069 (E_RNA)
where:
Base-Base interactions energy: -1209.348
where: short stacking energy: -548.888
Base-Backbone interact. energy: -1.777
local terms energy: -611.451641
where:
bonds (distance) C4'-P energy: -119.089
bonds (distance) P-C4' energy: -120.321
flat angles C4'-P-C4' energy: -123.570
flat angles P-C4'-P energy: -87.748
tors. eta vs tors. theta energy: -160.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1472.200938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.200938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.200938 (E_RNA)
where:
Base-Base interactions energy: -959.314
where: short stacking energy: -413.602
Base-Backbone interact. energy: -4.151
local terms energy: -508.735729
where:
bonds (distance) C4'-P energy: -99.575
bonds (distance) P-C4' energy: -125.714
flat angles C4'-P-C4' energy: -118.105
flat angles P-C4'-P energy: -78.186
tors. eta vs tors. theta energy: -87.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1263.443038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.443038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.443038 (E_RNA)
where:
Base-Base interactions energy: -788.405
where: short stacking energy: -376.119
Base-Backbone interact. energy: 1.006
local terms energy: -476.044336
where:
bonds (distance) C4'-P energy: -106.786
bonds (distance) P-C4' energy: -109.737
flat angles C4'-P-C4' energy: -121.326
flat angles P-C4'-P energy: -60.952
tors. eta vs tors. theta energy: -77.244
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: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -936.565571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.565571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.565571 (E_RNA)
where:
Base-Base interactions energy: -531.994
where: short stacking energy: -250.670
Base-Backbone interact. energy: -1.745
local terms energy: -402.826752
where:
bonds (distance) C4'-P energy: -95.144
bonds (distance) P-C4' energy: -127.410
flat angles C4'-P-C4' energy: -115.355
flat angles P-C4'-P energy: -47.250
tors. eta vs tors. theta energy: -17.668
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: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -856.266106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.266106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.266106 (E_RNA)
where:
Base-Base interactions energy: -499.866
where: short stacking energy: -240.770
Base-Backbone interact. energy: -2.516
local terms energy: -353.883866
where:
bonds (distance) C4'-P energy: -75.455
bonds (distance) P-C4' energy: -114.268
flat angles C4'-P-C4' energy: -84.935
flat angles P-C4'-P energy: -64.602
tors. eta vs tors. theta energy: -14.624
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: 358
Temperature: 0.900000
Total energy: -2300.256817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.256817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.256817 (E_RNA)
where:
Base-Base interactions energy: -1568.640
where: short stacking energy: -677.880
Base-Backbone interact. energy: -2.479
local terms energy: -729.137758
where:
bonds (distance) C4'-P energy: -133.220
bonds (distance) P-C4' energy: -126.524
flat angles C4'-P-C4' energy: -161.633
flat angles P-C4'-P energy: -106.697
tors. eta vs tors. theta energy: -201.064
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: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2245.249067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.249067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.249067 (E_RNA)
where:
Base-Base interactions energy: -1542.033
where: short stacking energy: -667.733
Base-Backbone interact. energy: -4.287
local terms energy: -698.928598
where:
bonds (distance) C4'-P energy: -119.332
bonds (distance) P-C4' energy: -124.644
flat angles C4'-P-C4' energy: -153.611
flat angles P-C4'-P energy: -103.231
tors. eta vs tors. theta energy: -198.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2169.411833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.411833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.411833 (E_RNA)
where:
Base-Base interactions energy: -1487.999
where: short stacking energy: -622.850
Base-Backbone interact. energy: 0.889
local terms energy: -682.301864
where:
bonds (distance) C4'-P energy: -130.797
bonds (distance) P-C4' energy: -135.139
flat angles C4'-P-C4' energy: -142.465
flat angles P-C4'-P energy: -102.710
tors. eta vs tors. theta energy: -171.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1969.239552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.239552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.239552 (E_RNA)
where:
Base-Base interactions energy: -1331.374
where: short stacking energy: -568.955
Base-Backbone interact. energy: -0.607
local terms energy: -637.258894
where:
bonds (distance) C4'-P energy: -124.985
bonds (distance) P-C4' energy: -124.340
flat angles C4'-P-C4' energy: -136.979
flat angles P-C4'-P energy: -91.514
tors. eta vs tors. theta energy: -159.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1927.105047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.105047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.105047 (E_RNA)
where:
Base-Base interactions energy: -1299.359
where: short stacking energy: -562.918
Base-Backbone interact. energy: -1.224
local terms energy: -626.522719
where:
bonds (distance) C4'-P energy: -121.119
bonds (distance) P-C4' energy: -124.025
flat angles C4'-P-C4' energy: -150.535
flat angles P-C4'-P energy: -82.684
tors. eta vs tors. theta energy: -148.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1846.697801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.697801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.697801 (E_RNA)
where:
Base-Base interactions energy: -1241.968
where: short stacking energy: -560.626
Base-Backbone interact. energy: 0.572
local terms energy: -605.302111
where:
bonds (distance) C4'-P energy: -112.397
bonds (distance) P-C4' energy: -116.774
flat angles C4'-P-C4' energy: -128.660
flat angles P-C4'-P energy: -84.037
tors. eta vs tors. theta energy: -163.434
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: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1541.595649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.595649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.595649 (E_RNA)
where:
Base-Base interactions energy: -1018.630
where: short stacking energy: -447.039
Base-Backbone interact. energy: -1.778
local terms energy: -521.188258
where:
bonds (distance) C4'-P energy: -118.596
bonds (distance) P-C4' energy: -121.997
flat angles C4'-P-C4' energy: -126.802
flat angles P-C4'-P energy: -59.273
tors. eta vs tors. theta energy: -94.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1267.976580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.976580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.976580 (E_RNA)
where:
Base-Base interactions energy: -796.697
where: short stacking energy: -363.787
Base-Backbone interact. energy: 0.146
local terms energy: -471.425744
where:
bonds (distance) C4'-P energy: -105.012
bonds (distance) P-C4' energy: -106.443
flat angles C4'-P-C4' energy: -118.535
flat angles P-C4'-P energy: -73.699
tors. eta vs tors. theta energy: -67.737
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: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -938.849299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.849299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.849299 (E_RNA)
where:
Base-Base interactions energy: -551.664
where: short stacking energy: -282.323
Base-Backbone interact. energy: -1.078
local terms energy: -386.107806
where:
bonds (distance) C4'-P energy: -104.599
bonds (distance) P-C4' energy: -104.712
flat angles C4'-P-C4' energy: -94.612
flat angles P-C4'-P energy: -44.914
tors. eta vs tors. theta energy: -37.270
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: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -846.348743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.348743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.348743 (E_RNA)
where:
Base-Base interactions energy: -463.477
where: short stacking energy: -234.374
Base-Backbone interact. energy: 2.885
local terms energy: -385.756182
where:
bonds (distance) C4'-P energy: -102.214
bonds (distance) P-C4' energy: -92.170
flat angles C4'-P-C4' energy: -109.035
flat angles P-C4'-P energy: -71.631
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2295.355478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.355478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.355478 (E_RNA)
where:
Base-Base interactions energy: -1586.171
where: short stacking energy: -676.667
Base-Backbone interact. energy: 1.209
local terms energy: -710.393334
where:
bonds (distance) C4'-P energy: -120.357
bonds (distance) P-C4' energy: -128.435
flat angles C4'-P-C4' energy: -152.073
flat angles P-C4'-P energy: -109.656
tors. eta vs tors. theta energy: -199.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2314.856630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.856630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.856630 (E_RNA)
where:
Base-Base interactions energy: -1586.931
where: short stacking energy: -681.918
Base-Backbone interact. energy: -1.248
local terms energy: -726.677657
where:
bonds (distance) C4'-P energy: -127.751
bonds (distance) P-C4' energy: -138.610
flat angles C4'-P-C4' energy: -153.168
flat angles P-C4'-P energy: -100.237
tors. eta vs tors. theta energy: -206.912
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: 359
Temperature: 1.000000
Total energy: -2144.790638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.790638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.790638 (E_RNA)
where:
Base-Base interactions energy: -1488.770
where: short stacking energy: -600.815
Base-Backbone interact. energy: -1.068
local terms energy: -654.952263
where:
bonds (distance) C4'-P energy: -129.552
bonds (distance) P-C4' energy: -126.854
flat angles C4'-P-C4' energy: -151.227
flat angles P-C4'-P energy: -100.618
tors. eta vs tors. theta energy: -146.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2005.716717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.716717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.716717 (E_RNA)
where:
Base-Base interactions energy: -1367.152
where: short stacking energy: -592.608
Base-Backbone interact. energy: -2.252
local terms energy: -636.312823
where:
bonds (distance) C4'-P energy: -119.254
bonds (distance) P-C4' energy: -119.936
flat angles C4'-P-C4' energy: -143.149
flat angles P-C4'-P energy: -86.137
tors. eta vs tors. theta energy: -167.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1888.690133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.690133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.690133 (E_RNA)
where:
Base-Base interactions energy: -1303.871
where: short stacking energy: -560.558
Base-Backbone interact. energy: 4.952
local terms energy: -589.771512
where:
bonds (distance) C4'-P energy: -107.071
bonds (distance) P-C4' energy: -121.139
flat angles C4'-P-C4' energy: -139.473
flat angles P-C4'-P energy: -76.048
tors. eta vs tors. theta energy: -146.040
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: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1812.469424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.469424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.469424 (E_RNA)
where:
Base-Base interactions energy: -1218.374
where: short stacking energy: -513.298
Base-Backbone interact. energy: 2.706
local terms energy: -596.801635
where:
bonds (distance) C4'-P energy: -117.402
bonds (distance) P-C4' energy: -116.895
flat angles C4'-P-C4' energy: -123.843
flat angles P-C4'-P energy: -82.654
tors. eta vs tors. theta energy: -156.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1553.618651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.618651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.618651 (E_RNA)
where:
Base-Base interactions energy: -1040.097
where: short stacking energy: -459.012
Base-Backbone interact. energy: 1.322
local terms energy: -514.843485
where:
bonds (distance) C4'-P energy: -100.692
bonds (distance) P-C4' energy: -130.627
flat angles C4'-P-C4' energy: -122.050
flat angles P-C4'-P energy: -60.510
tors. eta vs tors. theta energy: -100.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1243.711023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.711023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.711023 (E_RNA)
where:
Base-Base interactions energy: -801.686
where: short stacking energy: -362.902
Base-Backbone interact. energy: -0.811
local terms energy: -441.214042
where:
bonds (distance) C4'-P energy: -103.776
bonds (distance) P-C4' energy: -109.084
flat angles C4'-P-C4' energy: -102.211
flat angles P-C4'-P energy: -54.256
tors. eta vs tors. theta energy: -71.887
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: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -963.503056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.503056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.503056 (E_RNA)
where:
Base-Base interactions energy: -556.742
where: short stacking energy: -277.971
Base-Backbone interact. energy: 3.431
local terms energy: -410.192523
where:
bonds (distance) C4'-P energy: -119.813
bonds (distance) P-C4' energy: -80.196
flat angles C4'-P-C4' energy: -112.383
flat angles P-C4'-P energy: -60.375
tors. eta vs tors. theta energy: -37.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -845.252321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.252321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.252321 (E_RNA)
where:
Base-Base interactions energy: -469.187
where: short stacking energy: -239.190
Base-Backbone interact. energy: -3.142
local terms energy: -372.922844
where:
bonds (distance) C4'-P energy: -102.493
bonds (distance) P-C4' energy: -101.412
flat angles C4'-P-C4' energy: -89.729
flat angles P-C4'-P energy: -73.124
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2355.106144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.106144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.106144 (E_RNA)
where:
Base-Base interactions energy: -1580.945
where: short stacking energy: -674.607
Base-Backbone interact. energy: -3.642
local terms energy: -770.518582
where:
bonds (distance) C4'-P energy: -138.142
bonds (distance) P-C4' energy: -151.246
flat angles C4'-P-C4' energy: -157.472
flat angles P-C4'-P energy: -113.935
tors. eta vs tors. theta energy: -209.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2215.671013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.671013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.671013 (E_RNA)
where:
Base-Base interactions energy: -1525.177
where: short stacking energy: -671.130
Base-Backbone interact. energy: -1.671
local terms energy: -688.822457
where:
bonds (distance) C4'-P energy: -125.561
bonds (distance) P-C4' energy: -123.059
flat angles C4'-P-C4' energy: -152.792
flat angles P-C4'-P energy: -91.765
tors. eta vs tors. theta energy: -195.645
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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2108.240659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.240659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.240659 (E_RNA)
where:
Base-Base interactions energy: -1451.252
where: short stacking energy: -603.028
Base-Backbone interact. energy: -1.884
local terms energy: -655.105152
where:
bonds (distance) C4'-P energy: -123.742
bonds (distance) P-C4' energy: -129.293
flat angles C4'-P-C4' energy: -148.658
flat angles P-C4'-P energy: -80.200
tors. eta vs tors. theta energy: -173.211
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: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2015.456509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.456509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.456509 (E_RNA)
where:
Base-Base interactions energy: -1364.047
where: short stacking energy: -583.375
Base-Backbone interact. energy: -2.616
local terms energy: -648.793526
where:
bonds (distance) C4'-P energy: -122.551
bonds (distance) P-C4' energy: -133.366
flat angles C4'-P-C4' energy: -139.462
flat angles P-C4'-P energy: -92.425
tors. eta vs tors. theta energy: -160.989
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: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1896.704469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.704469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.704469 (E_RNA)
where:
Base-Base interactions energy: -1271.659
where: short stacking energy: -531.252
Base-Backbone interact. energy: 5.836
local terms energy: -630.881109
where:
bonds (distance) C4'-P energy: -119.509
bonds (distance) P-C4' energy: -119.818
flat angles C4'-P-C4' energy: -134.070
flat angles P-C4'-P energy: -101.263
tors. eta vs tors. theta energy: -156.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1787.302518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.302518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.302518 (E_RNA)
where:
Base-Base interactions energy: -1177.924
where: short stacking energy: -500.659
Base-Backbone interact. energy: 3.103
local terms energy: -612.481562
where:
bonds (distance) C4'-P energy: -119.513
bonds (distance) P-C4' energy: -117.996
flat angles C4'-P-C4' energy: -126.633
flat angles P-C4'-P energy: -90.918
tors. eta vs tors. theta energy: -157.422
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: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1568.301141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.301141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.301141 (E_RNA)
where:
Base-Base interactions energy: -1043.071
where: short stacking energy: -464.553
Base-Backbone interact. energy: -0.248
local terms energy: -524.981830
where:
bonds (distance) C4'-P energy: -110.920
bonds (distance) P-C4' energy: -102.237
flat angles C4'-P-C4' energy: -126.611
flat angles P-C4'-P energy: -76.155
tors. eta vs tors. theta energy: -109.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1273.911065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.911065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.911065 (E_RNA)
where:
Base-Base interactions energy: -837.234
where: short stacking energy: -362.296
Base-Backbone interact. energy: -1.181
local terms energy: -435.496446
where:
bonds (distance) C4'-P energy: -99.663
bonds (distance) P-C4' energy: -115.614
flat angles C4'-P-C4' energy: -115.153
flat angles P-C4'-P energy: -57.255
tors. eta vs tors. theta energy: -47.811
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: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -958.123524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.123524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.123524 (E_RNA)
where:
Base-Base interactions energy: -528.142
where: short stacking energy: -256.610
Base-Backbone interact. energy: -0.463
local terms energy: -429.518475
where:
bonds (distance) C4'-P energy: -122.365
bonds (distance) P-C4' energy: -103.050
flat angles C4'-P-C4' energy: -109.670
flat angles P-C4'-P energy: -73.981
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -860.432798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.432798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.432798 (E_RNA)
where:
Base-Base interactions energy: -472.964
where: short stacking energy: -243.323
Base-Backbone interact. energy: 2.069
local terms energy: -389.537821
where:
bonds (distance) C4'-P energy: -121.068
bonds (distance) P-C4' energy: -121.668
flat angles C4'-P-C4' energy: -68.850
flat angles P-C4'-P energy: -50.731
tors. eta vs tors. theta energy: -27.221
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: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2337.393647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.393647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.393647 (E_RNA)
where:
Base-Base interactions energy: -1617.288
where: short stacking energy: -692.997
Base-Backbone interact. energy: -1.014
local terms energy: -719.091498
where:
bonds (distance) C4'-P energy: -123.360
bonds (distance) P-C4' energy: -128.448
flat angles C4'-P-C4' energy: -153.594
flat angles P-C4'-P energy: -116.986
tors. eta vs tors. theta energy: -196.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2232.772567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.772567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.772567 (E_RNA)
where:
Base-Base interactions energy: -1552.347
where: short stacking energy: -680.905
Base-Backbone interact. energy: -1.631
local terms energy: -678.794086
where:
bonds (distance) C4'-P energy: -119.143
bonds (distance) P-C4' energy: -121.686
flat angles C4'-P-C4' energy: -144.828
flat angles P-C4'-P energy: -89.259
tors. eta vs tors. theta energy: -203.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2124.615543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.615543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.615543 (E_RNA)
where:
Base-Base interactions energy: -1462.032
where: short stacking energy: -618.412
Base-Backbone interact. energy: -2.207
local terms energy: -660.376066
where:
bonds (distance) C4'-P energy: -120.744
bonds (distance) P-C4' energy: -129.589
flat angles C4'-P-C4' energy: -147.342
flat angles P-C4'-P energy: -95.579
tors. eta vs tors. theta energy: -167.122
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: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2039.092448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.092448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.092448 (E_RNA)
where:
Base-Base interactions energy: -1390.603
where: short stacking energy: -600.534
Base-Backbone interact. energy: -1.266
local terms energy: -647.223583
where:
bonds (distance) C4'-P energy: -121.916
bonds (distance) P-C4' energy: -113.740
flat angles C4'-P-C4' energy: -144.762
flat angles P-C4'-P energy: -90.651
tors. eta vs tors. theta energy: -176.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1886.426837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.426837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.426837 (E_RNA)
where:
Base-Base interactions energy: -1295.709
where: short stacking energy: -542.566
Base-Backbone interact. energy: -3.371
local terms energy: -587.346979
where:
bonds (distance) C4'-P energy: -123.202
bonds (distance) P-C4' energy: -101.041
flat angles C4'-P-C4' energy: -118.599
flat angles P-C4'-P energy: -84.212
tors. eta vs tors. theta energy: -160.292
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: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1843.396622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.396622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.396622 (E_RNA)
where:
Base-Base interactions energy: -1255.280
where: short stacking energy: -560.694
Base-Backbone interact. energy: 1.702
local terms energy: -589.818850
where:
bonds (distance) C4'-P energy: -107.758
bonds (distance) P-C4' energy: -118.863
flat angles C4'-P-C4' energy: -135.133
flat angles P-C4'-P energy: -74.003
tors. eta vs tors. theta energy: -154.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1549.222844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.222844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.222844 (E_RNA)
where:
Base-Base interactions energy: -1058.492
where: short stacking energy: -451.172
Base-Backbone interact. energy: -1.337
local terms energy: -489.393618
where:
bonds (distance) C4'-P energy: -90.644
bonds (distance) P-C4' energy: -111.267
flat angles C4'-P-C4' energy: -110.140
flat angles P-C4'-P energy: -69.502
tors. eta vs tors. theta energy: -107.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1299.790012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.790012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.790012 (E_RNA)
where:
Base-Base interactions energy: -851.733
where: short stacking energy: -387.635
Base-Backbone interact. energy: 2.307
local terms energy: -450.363538
where:
bonds (distance) C4'-P energy: -93.489
bonds (distance) P-C4' energy: -125.333
flat angles C4'-P-C4' energy: -106.504
flat angles P-C4'-P energy: -61.978
tors. eta vs tors. theta energy: -63.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1037.267491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.267491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.267491 (E_RNA)
where:
Base-Base interactions energy: -583.758
where: short stacking energy: -306.748
Base-Backbone interact. energy: -3.082
local terms energy: -450.426728
where:
bonds (distance) C4'-P energy: -111.406
bonds (distance) P-C4' energy: -115.928
flat angles C4'-P-C4' energy: -114.674
flat angles P-C4'-P energy: -76.131
tors. eta vs tors. theta energy: -32.288
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: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -853.493483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.493483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.493483 (E_RNA)
where:
Base-Base interactions energy: -473.714
where: short stacking energy: -246.924
Base-Backbone interact. energy: -1.519
local terms energy: -378.260961
where:
bonds (distance) C4'-P energy: -106.978
bonds (distance) P-C4' energy: -97.563
flat angles C4'-P-C4' energy: -106.458
flat angles P-C4'-P energy: -50.088
tors. eta vs tors. theta energy: -17.174
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: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2308.896111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.896111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.896111 (E_RNA)
where:
Base-Base interactions energy: -1572.463
where: short stacking energy: -697.885
Base-Backbone interact. energy: 0.456
local terms energy: -736.889663
where:
bonds (distance) C4'-P energy: -132.247
bonds (distance) P-C4' energy: -133.980
flat angles C4'-P-C4' energy: -160.236
flat angles P-C4'-P energy: -99.163
tors. eta vs tors. theta energy: -211.264
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: 362
Temperature: 0.950000
Total energy: -2226.568334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.568334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.568334 (E_RNA)
where:
Base-Base interactions energy: -1522.206
where: short stacking energy: -689.944
Base-Backbone interact. energy: -0.726
local terms energy: -703.635367
where:
bonds (distance) C4'-P energy: -124.220
bonds (distance) P-C4' energy: -114.438
flat angles C4'-P-C4' energy: -158.504
flat angles P-C4'-P energy: -99.526
tors. eta vs tors. theta energy: -206.948
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: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2128.846698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.846698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.846698 (E_RNA)
where:
Base-Base interactions energy: -1474.389
where: short stacking energy: -605.688
Base-Backbone interact. energy: -1.427
local terms energy: -653.031252
where:
bonds (distance) C4'-P energy: -125.786
bonds (distance) P-C4' energy: -123.741
flat angles C4'-P-C4' energy: -130.050
flat angles P-C4'-P energy: -97.041
tors. eta vs tors. theta energy: -176.412
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: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2072.485270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.485270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.485270 (E_RNA)
where:
Base-Base interactions energy: -1454.804
where: short stacking energy: -631.164
Base-Backbone interact. energy: -2.834
local terms energy: -614.847677
where:
bonds (distance) C4'-P energy: -113.649
bonds (distance) P-C4' energy: -116.169
flat angles C4'-P-C4' energy: -124.749
flat angles P-C4'-P energy: -88.380
tors. eta vs tors. theta energy: -171.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1892.764884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.764884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.764884 (E_RNA)
where:
Base-Base interactions energy: -1303.584
where: short stacking energy: -561.414
Base-Backbone interact. energy: 2.563
local terms energy: -591.744068
where:
bonds (distance) C4'-P energy: -119.382
bonds (distance) P-C4' energy: -114.313
flat angles C4'-P-C4' energy: -133.378
flat angles P-C4'-P energy: -67.528
tors. eta vs tors. theta energy: -157.143
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: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1797.023221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.023221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.023221 (E_RNA)
where:
Base-Base interactions energy: -1189.546
where: short stacking energy: -499.972
Base-Backbone interact. energy: -1.174
local terms energy: -606.302643
where:
bonds (distance) C4'-P energy: -127.830
bonds (distance) P-C4' energy: -128.285
flat angles C4'-P-C4' energy: -137.069
flat angles P-C4'-P energy: -86.832
tors. eta vs tors. theta energy: -126.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1531.985638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.985638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.985638 (E_RNA)
where:
Base-Base interactions energy: -1031.801
where: short stacking energy: -467.204
Base-Backbone interact. energy: 0.877
local terms energy: -501.061420
where:
bonds (distance) C4'-P energy: -98.227
bonds (distance) P-C4' energy: -111.937
flat angles C4'-P-C4' energy: -120.728
flat angles P-C4'-P energy: -61.027
tors. eta vs tors. theta energy: -109.142
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: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1339.572407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.572407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.572407 (E_RNA)
where:
Base-Base interactions energy: -856.740
where: short stacking energy: -381.029
Base-Backbone interact. energy: -0.574
local terms energy: -482.258422
where:
bonds (distance) C4'-P energy: -119.240
bonds (distance) P-C4' energy: -114.143
flat angles C4'-P-C4' energy: -114.562
flat angles P-C4'-P energy: -55.245
tors. eta vs tors. theta energy: -79.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1013.423374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.423374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.423374 (E_RNA)
where:
Base-Base interactions energy: -599.357
where: short stacking energy: -308.945
Base-Backbone interact. energy: 7.144
local terms energy: -421.210759
where:
bonds (distance) C4'-P energy: -108.462
bonds (distance) P-C4' energy: -112.165
flat angles C4'-P-C4' energy: -85.337
flat angles P-C4'-P energy: -65.657
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: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -869.974512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.974512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.974512 (E_RNA)
where:
Base-Base interactions energy: -489.164
where: short stacking energy: -253.502
Base-Backbone interact. energy: 2.887
local terms energy: -383.697257
where:
bonds (distance) C4'-P energy: -91.070
bonds (distance) P-C4' energy: -114.363
flat angles C4'-P-C4' energy: -108.438
flat angles P-C4'-P energy: -62.299
tors. eta vs tors. theta energy: -7.528
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: 1, replica: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2308.686689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.686689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.686689 (E_RNA)
where:
Base-Base interactions energy: -1565.495
where: short stacking energy: -691.094
Base-Backbone interact. energy: -1.886
local terms energy: -741.305409
where:
bonds (distance) C4'-P energy: -135.954
bonds (distance) P-C4' energy: -128.986
flat angles C4'-P-C4' energy: -150.296
flat angles P-C4'-P energy: -108.358
tors. eta vs tors. theta energy: -217.711
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: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2247.007685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.007685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.007685 (E_RNA)
where:
Base-Base interactions energy: -1520.647
where: short stacking energy: -671.625
Base-Backbone interact. energy: -4.825
local terms energy: -721.535452
where:
bonds (distance) C4'-P energy: -123.443
bonds (distance) P-C4' energy: -131.860
flat angles C4'-P-C4' energy: -159.284
flat angles P-C4'-P energy: -96.120
tors. eta vs tors. theta energy: -210.828
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: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2139.625260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.625260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.625260 (E_RNA)
where:
Base-Base interactions energy: -1479.390
where: short stacking energy: -624.859
Base-Backbone interact. energy: 0.091
local terms energy: -660.326522
where:
bonds (distance) C4'-P energy: -121.864
bonds (distance) P-C4' energy: -117.986
flat angles C4'-P-C4' energy: -143.330
flat angles P-C4'-P energy: -101.254
tors. eta vs tors. theta energy: -175.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2029.485813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.485813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.485813 (E_RNA)
where:
Base-Base interactions energy: -1358.076
where: short stacking energy: -577.531
Base-Backbone interact. energy: -2.059
local terms energy: -669.350876
where:
bonds (distance) C4'-P energy: -129.286
bonds (distance) P-C4' energy: -128.874
flat angles C4'-P-C4' energy: -135.399
flat angles P-C4'-P energy: -111.033
tors. eta vs tors. theta energy: -164.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1943.393459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.393459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.393459 (E_RNA)
where:
Base-Base interactions energy: -1335.484
where: short stacking energy: -564.049
Base-Backbone interact. energy: -2.152
local terms energy: -605.757453
where:
bonds (distance) C4'-P energy: -110.727
bonds (distance) P-C4' energy: -120.710
flat angles C4'-P-C4' energy: -131.824
flat angles P-C4'-P energy: -77.920
tors. eta vs tors. theta energy: -164.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1785.820044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.820044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.820044 (E_RNA)
where:
Base-Base interactions energy: -1193.571
where: short stacking energy: -529.475
Base-Backbone interact. energy: 1.489
local terms energy: -593.738201
where:
bonds (distance) C4'-P energy: -108.047
bonds (distance) P-C4' energy: -123.756
flat angles C4'-P-C4' energy: -134.519
flat angles P-C4'-P energy: -81.320
tors. eta vs tors. theta energy: -146.096
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: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1516.918387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.918387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.918387 (E_RNA)
where:
Base-Base interactions energy: -1017.234
where: short stacking energy: -451.337
Base-Backbone interact. energy: 3.004
local terms energy: -502.688603
where:
bonds (distance) C4'-P energy: -107.371
bonds (distance) P-C4' energy: -113.355
flat angles C4'-P-C4' energy: -117.144
flat angles P-C4'-P energy: -74.069
tors. eta vs tors. theta energy: -90.751
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: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1364.131983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.131983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.131983 (E_RNA)
where:
Base-Base interactions energy: -842.214
where: short stacking energy: -389.617
Base-Backbone interact. energy: 1.448
local terms energy: -523.366122
where:
bonds (distance) C4'-P energy: -91.291
bonds (distance) P-C4' energy: -116.868
flat angles C4'-P-C4' energy: -132.710
flat angles P-C4'-P energy: -83.004
tors. eta vs tors. theta energy: -99.493
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: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -989.351209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.351209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.351209 (E_RNA)
where:
Base-Base interactions energy: -590.926
where: short stacking energy: -271.824
Base-Backbone interact. energy: -3.991
local terms energy: -394.433593
where:
bonds (distance) C4'-P energy: -110.728
bonds (distance) P-C4' energy: -105.454
flat angles C4'-P-C4' energy: -93.508
flat angles P-C4'-P energy: -68.495
tors. eta vs tors. theta energy: -16.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -867.050103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.050103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.050103 (E_RNA)
where:
Base-Base interactions energy: -499.372
where: short stacking energy: -252.260
Base-Backbone interact. energy: -0.122
local terms energy: -367.555584
where:
bonds (distance) C4'-P energy: -100.780
bonds (distance) P-C4' energy: -103.167
flat angles C4'-P-C4' energy: -95.377
flat angles P-C4'-P energy: -58.544
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2310.805001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.805001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.805001 (E_RNA)
where:
Base-Base interactions energy: -1587.224
where: short stacking energy: -707.929
Base-Backbone interact. energy: -2.867
local terms energy: -720.714333
where:
bonds (distance) C4'-P energy: -133.067
bonds (distance) P-C4' energy: -129.357
flat angles C4'-P-C4' energy: -145.491
flat angles P-C4'-P energy: -99.073
tors. eta vs tors. theta energy: -213.727
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: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2237.413124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.413124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.413124 (E_RNA)
where:
Base-Base interactions energy: -1541.190
where: short stacking energy: -659.033
Base-Backbone interact. energy: -2.208
local terms energy: -694.015768
where:
bonds (distance) C4'-P energy: -124.556
bonds (distance) P-C4' energy: -145.261
flat angles C4'-P-C4' energy: -149.195
flat angles P-C4'-P energy: -83.139
tors. eta vs tors. theta energy: -191.865
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: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2118.029388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.029388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.029388 (E_RNA)
where:
Base-Base interactions energy: -1476.769
where: short stacking energy: -636.451
Base-Backbone interact. energy: -3.414
local terms energy: -637.846978
where:
bonds (distance) C4'-P energy: -113.192
bonds (distance) P-C4' energy: -125.789
flat angles C4'-P-C4' energy: -148.296
flat angles P-C4'-P energy: -82.068
tors. eta vs tors. theta energy: -168.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2055.089349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.089349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.089349 (E_RNA)
where:
Base-Base interactions energy: -1417.042
where: short stacking energy: -605.476
Base-Backbone interact. energy: 0.126
local terms energy: -638.173414
where:
bonds (distance) C4'-P energy: -127.000
bonds (distance) P-C4' energy: -123.132
flat angles C4'-P-C4' energy: -137.822
flat angles P-C4'-P energy: -84.860
tors. eta vs tors. theta energy: -165.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1936.765196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.765196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.765196 (E_RNA)
where:
Base-Base interactions energy: -1333.985
where: short stacking energy: -573.013
Base-Backbone interact. energy: -1.615
local terms energy: -601.164985
where:
bonds (distance) C4'-P energy: -118.216
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -117.348
flat angles P-C4'-P energy: -77.754
tors. eta vs tors. theta energy: -176.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1768.722145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.722145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.722145 (E_RNA)
where:
Base-Base interactions energy: -1175.103
where: short stacking energy: -516.197
Base-Backbone interact. energy: 0.715
local terms energy: -594.333745
where:
bonds (distance) C4'-P energy: -107.144
bonds (distance) P-C4' energy: -131.746
flat angles C4'-P-C4' energy: -135.629
flat angles P-C4'-P energy: -71.081
tors. eta vs tors. theta energy: -148.733
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: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1475.420988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.420988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.420988 (E_RNA)
where:
Base-Base interactions energy: -950.301
where: short stacking energy: -431.778
Base-Backbone interact. energy: 3.576
local terms energy: -528.695624
where:
bonds (distance) C4'-P energy: -109.569
bonds (distance) P-C4' energy: -118.824
flat angles C4'-P-C4' energy: -106.112
flat angles P-C4'-P energy: -87.173
tors. eta vs tors. theta energy: -107.018
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: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1387.779207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.779207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.779207 (E_RNA)
where:
Base-Base interactions energy: -886.049
where: short stacking energy: -416.442
Base-Backbone interact. energy: 3.225
local terms energy: -504.954786
where:
bonds (distance) C4'-P energy: -101.540
bonds (distance) P-C4' energy: -107.308
flat angles C4'-P-C4' energy: -118.328
flat angles P-C4'-P energy: -74.425
tors. eta vs tors. theta energy: -103.354
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: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -983.690018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.690018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.690018 (E_RNA)
where:
Base-Base interactions energy: -541.424
where: short stacking energy: -260.750
Base-Backbone interact. energy: 4.486
local terms energy: -446.751886
where:
bonds (distance) C4'-P energy: -116.240
bonds (distance) P-C4' energy: -107.145
flat angles C4'-P-C4' energy: -126.295
flat angles P-C4'-P energy: -54.683
tors. eta vs tors. theta energy: -42.388
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: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -876.662861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.662861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.662861 (E_RNA)
where:
Base-Base interactions energy: -492.892
where: short stacking energy: -237.280
Base-Backbone interact. energy: -0.792
local terms energy: -382.979029
where:
bonds (distance) C4'-P energy: -105.735
bonds (distance) P-C4' energy: -118.994
flat angles C4'-P-C4' energy: -80.085
flat angles P-C4'-P energy: -54.372
tors. eta vs tors. theta energy: -23.792
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: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2324.016015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.016015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.016015 (E_RNA)
where:
Base-Base interactions energy: -1582.632
where: short stacking energy: -706.159
Base-Backbone interact. energy: 0.079
local terms energy: -741.462865
where:
bonds (distance) C4'-P energy: -129.936
bonds (distance) P-C4' energy: -136.228
flat angles C4'-P-C4' energy: -155.645
flat angles P-C4'-P energy: -102.380
tors. eta vs tors. theta energy: -217.274
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: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2223.456679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.456679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.456679 (E_RNA)
where:
Base-Base interactions energy: -1510.482
where: short stacking energy: -668.579
Base-Backbone interact. energy: -0.440
local terms energy: -712.534318
where:
bonds (distance) C4'-P energy: -127.486
bonds (distance) P-C4' energy: -133.446
flat angles C4'-P-C4' energy: -152.099
flat angles P-C4'-P energy: -103.308
tors. eta vs tors. theta energy: -196.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2113.766811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.766811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.766811 (E_RNA)
where:
Base-Base interactions energy: -1481.201
where: short stacking energy: -597.190
Base-Backbone interact. energy: -5.944
local terms energy: -626.621832
where:
bonds (distance) C4'-P energy: -130.102
bonds (distance) P-C4' energy: -116.881
flat angles C4'-P-C4' energy: -138.073
flat angles P-C4'-P energy: -94.219
tors. eta vs tors. theta energy: -147.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2033.101206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.101206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.101206 (E_RNA)
where:
Base-Base interactions energy: -1361.608
where: short stacking energy: -558.816
Base-Backbone interact. energy: -3.007
local terms energy: -668.485444
where:
bonds (distance) C4'-P energy: -131.116
bonds (distance) P-C4' energy: -129.996
flat angles C4'-P-C4' energy: -146.765
flat angles P-C4'-P energy: -94.276
tors. eta vs tors. theta energy: -166.332
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: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1918.080735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.080735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.080735 (E_RNA)
where:
Base-Base interactions energy: -1307.199
where: short stacking energy: -541.168
Base-Backbone interact. energy: 1.043
local terms energy: -611.924766
where:
bonds (distance) C4'-P energy: -129.098
bonds (distance) P-C4' energy: -120.838
flat angles C4'-P-C4' energy: -133.439
flat angles P-C4'-P energy: -77.167
tors. eta vs tors. theta energy: -151.381
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: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1725.020846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.020846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.020846 (E_RNA)
where:
Base-Base interactions energy: -1149.669
where: short stacking energy: -512.967
Base-Backbone interact. energy: -1.390
local terms energy: -573.960980
where:
bonds (distance) C4'-P energy: -120.294
bonds (distance) P-C4' energy: -125.134
flat angles C4'-P-C4' energy: -124.037
flat angles P-C4'-P energy: -72.707
tors. eta vs tors. theta energy: -131.788
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: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1582.501187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.501187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.501187 (E_RNA)
where:
Base-Base interactions energy: -1030.926
where: short stacking energy: -457.228
Base-Backbone interact. energy: 1.207
local terms energy: -552.781981
where:
bonds (distance) C4'-P energy: -121.206
bonds (distance) P-C4' energy: -101.171
flat angles C4'-P-C4' energy: -121.810
flat angles P-C4'-P energy: -84.639
tors. eta vs tors. theta energy: -123.956
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: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1355.926379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.926379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.926379 (E_RNA)
where:
Base-Base interactions energy: -868.598
where: short stacking energy: -383.831
Base-Backbone interact. energy: -2.429
local terms energy: -484.899558
where:
bonds (distance) C4'-P energy: -116.586
bonds (distance) P-C4' energy: -126.988
flat angles C4'-P-C4' energy: -102.099
flat angles P-C4'-P energy: -75.344
tors. eta vs tors. theta energy: -63.883
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: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -983.421195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.421195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.421195 (E_RNA)
where:
Base-Base interactions energy: -595.579
where: short stacking energy: -287.036
Base-Backbone interact. energy: 3.695
local terms energy: -391.536942
where:
bonds (distance) C4'-P energy: -87.473
bonds (distance) P-C4' energy: -108.521
flat angles C4'-P-C4' energy: -107.735
flat angles P-C4'-P energy: -52.950
tors. eta vs tors. theta energy: -34.858
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: 365
Temperature: 1.350000
Total energy: -848.597362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.597362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.597362 (E_RNA)
where:
Base-Base interactions energy: -467.199
where: short stacking energy: -227.644
Base-Backbone interact. energy: 5.823
local terms energy: -387.221562
where:
bonds (distance) C4'-P energy: -116.020
bonds (distance) P-C4' energy: -119.549
flat angles C4'-P-C4' energy: -86.277
flat angles P-C4'-P energy: -66.938
tors. eta vs tors. theta energy: 1.563
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: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2319.377010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.377010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.377010 (E_RNA)
where:
Base-Base interactions energy: -1579.245
where: short stacking energy: -684.161
Base-Backbone interact. energy: -1.906
local terms energy: -738.226648
where:
bonds (distance) C4'-P energy: -134.795
bonds (distance) P-C4' energy: -135.401
flat angles C4'-P-C4' energy: -168.049
flat angles P-C4'-P energy: -98.982
tors. eta vs tors. theta energy: -201.000
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: 2, replica: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2247.609005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.609005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.609005 (E_RNA)
where:
Base-Base interactions energy: -1527.203
where: short stacking energy: -662.055
Base-Backbone interact. energy: -0.337
local terms energy: -720.069498
where:
bonds (distance) C4'-P energy: -123.174
bonds (distance) P-C4' energy: -134.320
flat angles C4'-P-C4' energy: -150.190
flat angles P-C4'-P energy: -108.248
tors. eta vs tors. theta energy: -204.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2141.835110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.835110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.835110 (E_RNA)
where:
Base-Base interactions energy: -1509.878
where: short stacking energy: -607.306
Base-Backbone interact. energy: -1.266
local terms energy: -630.691651
where:
bonds (distance) C4'-P energy: -114.919
bonds (distance) P-C4' energy: -123.754
flat angles C4'-P-C4' energy: -134.969
flat angles P-C4'-P energy: -94.729
tors. eta vs tors. theta energy: -162.321
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: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2062.941157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.941157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.941157 (E_RNA)
where:
Base-Base interactions energy: -1404.308
where: short stacking energy: -579.817
Base-Backbone interact. energy: 0.012
local terms energy: -658.644964
where:
bonds (distance) C4'-P energy: -120.848
bonds (distance) P-C4' energy: -123.823
flat angles C4'-P-C4' energy: -143.491
flat angles P-C4'-P energy: -96.120
tors. eta vs tors. theta energy: -174.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1882.597277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.597277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.597277 (E_RNA)
where:
Base-Base interactions energy: -1299.034
where: short stacking energy: -539.405
Base-Backbone interact. energy: -0.657
local terms energy: -582.906269
where:
bonds (distance) C4'-P energy: -127.348
bonds (distance) P-C4' energy: -107.814
flat angles C4'-P-C4' energy: -133.305
flat angles P-C4'-P energy: -71.881
tors. eta vs tors. theta energy: -142.558
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: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1756.185570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.185570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.185570 (E_RNA)
where:
Base-Base interactions energy: -1166.770
where: short stacking energy: -525.303
Base-Backbone interact. energy: -0.943
local terms energy: -588.472562
where:
bonds (distance) C4'-P energy: -111.983
bonds (distance) P-C4' energy: -118.953
flat angles C4'-P-C4' energy: -131.906
flat angles P-C4'-P energy: -84.815
tors. eta vs tors. theta energy: -140.814
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: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1533.160781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.160781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.160781 (E_RNA)
where:
Base-Base interactions energy: -996.651
where: short stacking energy: -468.494
Base-Backbone interact. energy: -2.424
local terms energy: -534.085302
where:
bonds (distance) C4'-P energy: -99.044
bonds (distance) P-C4' energy: -121.336
flat angles C4'-P-C4' energy: -123.883
flat angles P-C4'-P energy: -72.888
tors. eta vs tors. theta energy: -116.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1323.969171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.969171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.969171 (E_RNA)
where:
Base-Base interactions energy: -832.285
where: short stacking energy: -352.164
Base-Backbone interact. energy: -0.722
local terms energy: -490.962112
where:
bonds (distance) C4'-P energy: -112.907
bonds (distance) P-C4' energy: -111.005
flat angles C4'-P-C4' energy: -120.428
flat angles P-C4'-P energy: -66.471
tors. eta vs tors. theta energy: -80.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -957.319429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.319429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.319429 (E_RNA)
where:
Base-Base interactions energy: -541.582
where: short stacking energy: -249.943
Base-Backbone interact. energy: -1.301
local terms energy: -414.435918
where:
bonds (distance) C4'-P energy: -98.644
bonds (distance) P-C4' energy: -112.684
flat angles C4'-P-C4' energy: -111.687
flat angles P-C4'-P energy: -64.478
tors. eta vs tors. theta energy: -26.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -892.074580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.074580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.074580 (E_RNA)
where:
Base-Base interactions energy: -488.031
where: short stacking energy: -260.261
Base-Backbone interact. energy: 2.539
local terms energy: -406.582705
where:
bonds (distance) C4'-P energy: -88.731
bonds (distance) P-C4' energy: -119.683
flat angles C4'-P-C4' energy: -112.213
flat angles P-C4'-P energy: -57.032
tors. eta vs tors. theta energy: -28.922
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: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2322.139552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.139552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.139552 (E_RNA)
where:
Base-Base interactions energy: -1598.015
where: short stacking energy: -695.204
Base-Backbone interact. energy: -2.285
local terms energy: -721.839750
where:
bonds (distance) C4'-P energy: -125.152
bonds (distance) P-C4' energy: -126.677
flat angles C4'-P-C4' energy: -159.685
flat angles P-C4'-P energy: -102.193
tors. eta vs tors. theta energy: -208.133
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: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2234.917506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.917506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.917506 (E_RNA)
where:
Base-Base interactions energy: -1538.694
where: short stacking energy: -670.023
Base-Backbone interact. energy: -2.805
local terms energy: -693.418197
where:
bonds (distance) C4'-P energy: -110.059
bonds (distance) P-C4' energy: -117.083
flat angles C4'-P-C4' energy: -157.187
flat angles P-C4'-P energy: -100.094
tors. eta vs tors. theta energy: -208.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2149.108301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.108301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.108301 (E_RNA)
where:
Base-Base interactions energy: -1467.423
where: short stacking energy: -618.308
Base-Backbone interact. energy: -1.359
local terms energy: -680.326261
where:
bonds (distance) C4'-P energy: -121.223
bonds (distance) P-C4' energy: -123.086
flat angles C4'-P-C4' energy: -158.225
flat angles P-C4'-P energy: -95.329
tors. eta vs tors. theta energy: -182.464
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: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2021.965839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.965839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.965839 (E_RNA)
where:
Base-Base interactions energy: -1419.228
where: short stacking energy: -589.791
Base-Backbone interact. energy: -2.521
local terms energy: -600.216595
where:
bonds (distance) C4'-P energy: -129.869
bonds (distance) P-C4' energy: -98.828
flat angles C4'-P-C4' energy: -132.419
flat angles P-C4'-P energy: -73.924
tors. eta vs tors. theta energy: -165.177
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: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1962.967645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.967645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.967645 (E_RNA)
where:
Base-Base interactions energy: -1327.691
where: short stacking energy: -542.767
Base-Backbone interact. energy: -0.770
local terms energy: -634.506644
where:
bonds (distance) C4'-P energy: -112.726
bonds (distance) P-C4' energy: -123.762
flat angles C4'-P-C4' energy: -144.658
flat angles P-C4'-P energy: -87.436
tors. eta vs tors. theta energy: -165.925
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: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1770.813898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.813898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.813898 (E_RNA)
where:
Base-Base interactions energy: -1209.134
where: short stacking energy: -526.628
Base-Backbone interact. energy: 0.336
local terms energy: -562.016757
where:
bonds (distance) C4'-P energy: -111.153
bonds (distance) P-C4' energy: -102.077
flat angles C4'-P-C4' energy: -126.791
flat angles P-C4'-P energy: -88.594
tors. eta vs tors. theta energy: -133.402
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: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1465.989761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.989761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.989761 (E_RNA)
where:
Base-Base interactions energy: -976.596
where: short stacking energy: -414.888
Base-Backbone interact. energy: -1.625
local terms energy: -487.768710
where:
bonds (distance) C4'-P energy: -107.715
bonds (distance) P-C4' energy: -115.355
flat angles C4'-P-C4' energy: -118.826
flat angles P-C4'-P energy: -56.663
tors. eta vs tors. theta energy: -89.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1366.909934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.909934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.909934 (E_RNA)
where:
Base-Base interactions energy: -893.947
where: short stacking energy: -388.870
Base-Backbone interact. energy: 0.791
local terms energy: -473.753070
where:
bonds (distance) C4'-P energy: -92.506
bonds (distance) P-C4' energy: -128.811
flat angles C4'-P-C4' energy: -98.654
flat angles P-C4'-P energy: -82.312
tors. eta vs tors. theta energy: -71.470
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: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -968.265034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.265034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.265034 (E_RNA)
where:
Base-Base interactions energy: -554.145
where: short stacking energy: -276.056
Base-Backbone interact. energy: 1.241
local terms energy: -415.361185
where:
bonds (distance) C4'-P energy: -104.787
bonds (distance) P-C4' energy: -113.436
flat angles C4'-P-C4' energy: -102.283
flat angles P-C4'-P energy: -64.634
tors. eta vs tors. theta energy: -30.221
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: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -868.377975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.377975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.377975 (E_RNA)
where:
Base-Base interactions energy: -488.060
where: short stacking energy: -248.782
Base-Backbone interact. energy: 9.899
local terms energy: -390.216895
where:
bonds (distance) C4'-P energy: -111.038
bonds (distance) P-C4' energy: -108.722
flat angles C4'-P-C4' energy: -96.009
flat angles P-C4'-P energy: -50.764
tors. eta vs tors. theta energy: -23.684
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: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2339.082273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.082273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.082273 (E_RNA)
where:
Base-Base interactions energy: -1609.988
where: short stacking energy: -706.043
Base-Backbone interact. energy: -2.939
local terms energy: -726.155212
where:
bonds (distance) C4'-P energy: -128.728
bonds (distance) P-C4' energy: -115.663
flat angles C4'-P-C4' energy: -156.261
flat angles P-C4'-P energy: -112.585
tors. eta vs tors. theta energy: -212.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2263.884396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.884396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.884396 (E_RNA)
where:
Base-Base interactions energy: -1556.918
where: short stacking energy: -654.743
Base-Backbone interact. energy: -4.126
local terms energy: -702.840749
where:
bonds (distance) C4'-P energy: -130.097
bonds (distance) P-C4' energy: -135.809
flat angles C4'-P-C4' energy: -130.632
flat angles P-C4'-P energy: -102.296
tors. eta vs tors. theta energy: -204.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2120.218588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.218588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.218588 (E_RNA)
where:
Base-Base interactions energy: -1454.778
where: short stacking energy: -628.943
Base-Backbone interact. energy: -3.017
local terms energy: -662.423073
where:
bonds (distance) C4'-P energy: -122.916
bonds (distance) P-C4' energy: -139.147
flat angles C4'-P-C4' energy: -132.524
flat angles P-C4'-P energy: -90.200
tors. eta vs tors. theta energy: -177.635
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: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2053.108656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.108656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.108656 (E_RNA)
where:
Base-Base interactions energy: -1416.736
where: short stacking energy: -603.079
Base-Backbone interact. energy: -1.794
local terms energy: -634.578503
where:
bonds (distance) C4'-P energy: -114.293
bonds (distance) P-C4' energy: -129.620
flat angles C4'-P-C4' energy: -132.282
flat angles P-C4'-P energy: -89.116
tors. eta vs tors. theta energy: -169.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1976.968386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.968386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.968386 (E_RNA)
where:
Base-Base interactions energy: -1365.469
where: short stacking energy: -596.612
Base-Backbone interact. energy: -2.817
local terms energy: -608.682970
where:
bonds (distance) C4'-P energy: -105.339
bonds (distance) P-C4' energy: -105.897
flat angles C4'-P-C4' energy: -130.493
flat angles P-C4'-P energy: -89.414
tors. eta vs tors. theta energy: -177.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1772.356989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.356989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.356989 (E_RNA)
where:
Base-Base interactions energy: -1177.723
where: short stacking energy: -515.683
Base-Backbone interact. energy: 4.368
local terms energy: -599.002670
where:
bonds (distance) C4'-P energy: -130.632
bonds (distance) P-C4' energy: -116.235
flat angles C4'-P-C4' energy: -133.731
flat angles P-C4'-P energy: -80.560
tors. eta vs tors. theta energy: -137.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1462.125867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.125867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.125867 (E_RNA)
where:
Base-Base interactions energy: -954.263
where: short stacking energy: -433.654
Base-Backbone interact. energy: -1.211
local terms energy: -506.651577
where:
bonds (distance) C4'-P energy: -111.671
bonds (distance) P-C4' energy: -129.503
flat angles C4'-P-C4' energy: -106.151
flat angles P-C4'-P energy: -59.754
tors. eta vs tors. theta energy: -99.571
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: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1403.288104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.288104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.288104 (E_RNA)
where:
Base-Base interactions energy: -889.450
where: short stacking energy: -394.972
Base-Backbone interact. energy: -1.274
local terms energy: -512.564472
where:
bonds (distance) C4'-P energy: -102.202
bonds (distance) P-C4' energy: -135.880
flat angles C4'-P-C4' energy: -117.267
flat angles P-C4'-P energy: -80.966
tors. eta vs tors. theta energy: -76.250
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: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1067.239877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.239877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.239877 (E_RNA)
where:
Base-Base interactions energy: -638.422
where: short stacking energy: -293.610
Base-Backbone interact. energy: 1.397
local terms energy: -430.214560
where:
bonds (distance) C4'-P energy: -107.905
bonds (distance) P-C4' energy: -103.238
flat angles C4'-P-C4' energy: -112.412
flat angles P-C4'-P energy: -70.586
tors. eta vs tors. theta energy: -36.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -859.313497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.313497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.313497 (E_RNA)
where:
Base-Base interactions energy: -509.943
where: short stacking energy: -240.076
Base-Backbone interact. energy: -1.282
local terms energy: -348.087898
where:
bonds (distance) C4'-P energy: -89.748
bonds (distance) P-C4' energy: -99.924
flat angles C4'-P-C4' energy: -88.135
flat angles P-C4'-P energy: -58.861
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2322.531659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.531659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.531659 (E_RNA)
where:
Base-Base interactions energy: -1576.840
where: short stacking energy: -698.846
Base-Backbone interact. energy: -4.259
local terms energy: -741.432014
where:
bonds (distance) C4'-P energy: -123.309
bonds (distance) P-C4' energy: -132.242
flat angles C4'-P-C4' energy: -161.041
flat angles P-C4'-P energy: -108.601
tors. eta vs tors. theta energy: -216.239
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: 369
Temperature: 0.950000
Total energy: -2251.747601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.747601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.747601 (E_RNA)
where:
Base-Base interactions energy: -1564.522
where: short stacking energy: -678.156
Base-Backbone interact. energy: -3.791
local terms energy: -683.434718
where:
bonds (distance) C4'-P energy: -125.197
bonds (distance) P-C4' energy: -118.144
flat angles C4'-P-C4' energy: -146.036
flat angles P-C4'-P energy: -98.383
tors. eta vs tors. theta energy: -195.675
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: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2169.091531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.091531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.091531 (E_RNA)
where:
Base-Base interactions energy: -1531.840
where: short stacking energy: -650.859
Base-Backbone interact. energy: -2.293
local terms energy: -634.958184
where:
bonds (distance) C4'-P energy: -113.741
bonds (distance) P-C4' energy: -110.448
flat angles C4'-P-C4' energy: -153.373
flat angles P-C4'-P energy: -81.166
tors. eta vs tors. theta energy: -176.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2023.985151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.985151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.985151 (E_RNA)
where:
Base-Base interactions energy: -1399.245
where: short stacking energy: -567.997
Base-Backbone interact. energy: 0.485
local terms energy: -625.225537
where:
bonds (distance) C4'-P energy: -120.158
bonds (distance) P-C4' energy: -124.103
flat angles C4'-P-C4' energy: -146.746
flat angles P-C4'-P energy: -79.190
tors. eta vs tors. theta energy: -155.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2033.340751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.340751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.340751 (E_RNA)
where:
Base-Base interactions energy: -1383.297
where: short stacking energy: -585.192
Base-Backbone interact. energy: 1.335
local terms energy: -651.378553
where:
bonds (distance) C4'-P energy: -101.221
bonds (distance) P-C4' energy: -136.656
flat angles C4'-P-C4' energy: -138.724
flat angles P-C4'-P energy: -90.319
tors. eta vs tors. theta energy: -184.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1791.328150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.328150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.328150 (E_RNA)
where:
Base-Base interactions energy: -1203.575
where: short stacking energy: -515.530
Base-Backbone interact. energy: -3.019
local terms energy: -584.734004
where:
bonds (distance) C4'-P energy: -109.152
bonds (distance) P-C4' energy: -126.455
flat angles C4'-P-C4' energy: -125.346
flat angles P-C4'-P energy: -76.927
tors. eta vs tors. theta energy: -146.854
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: 7, replica: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1483.051557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.051557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.051557 (E_RNA)
where:
Base-Base interactions energy: -1009.155
where: short stacking energy: -428.542
Base-Backbone interact. energy: 2.453
local terms energy: -476.349616
where:
bonds (distance) C4'-P energy: -88.727
bonds (distance) P-C4' energy: -116.201
flat angles C4'-P-C4' energy: -113.047
flat angles P-C4'-P energy: -62.136
tors. eta vs tors. theta energy: -96.239
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: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1297.921559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.921559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.921559 (E_RNA)
where:
Base-Base interactions energy: -820.914
where: short stacking energy: -348.746
Base-Backbone interact. energy: -1.147
local terms energy: -475.860582
where:
bonds (distance) C4'-P energy: -126.605
bonds (distance) P-C4' energy: -107.647
flat angles C4'-P-C4' energy: -98.997
flat angles P-C4'-P energy: -67.562
tors. eta vs tors. theta energy: -75.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1044.385549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.385549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.385549 (E_RNA)
where:
Base-Base interactions energy: -634.030
where: short stacking energy: -293.788
Base-Backbone interact. energy: 0.520
local terms energy: -410.875453
where:
bonds (distance) C4'-P energy: -95.297
bonds (distance) P-C4' energy: -94.956
flat angles C4'-P-C4' energy: -100.273
flat angles P-C4'-P energy: -76.792
tors. eta vs tors. theta energy: -43.557
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: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -854.913728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.913728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.913728 (E_RNA)
where:
Base-Base interactions energy: -452.152
where: short stacking energy: -209.280
Base-Backbone interact. energy: 0.858
local terms energy: -403.619320
where:
bonds (distance) C4'-P energy: -110.741
bonds (distance) P-C4' energy: -128.102
flat angles C4'-P-C4' energy: -100.410
flat angles P-C4'-P energy: -55.208
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2298.620664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.620664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.620664 (E_RNA)
where:
Base-Base interactions energy: -1587.072
where: short stacking energy: -701.581
Base-Backbone interact. energy: -2.438
local terms energy: -709.110521
where:
bonds (distance) C4'-P energy: -120.916
bonds (distance) P-C4' energy: -131.147
flat angles C4'-P-C4' energy: -154.174
flat angles P-C4'-P energy: -96.705
tors. eta vs tors. theta energy: -206.169
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: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2240.793669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.793669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.793669 (E_RNA)
where:
Base-Base interactions energy: -1550.357
where: short stacking energy: -673.840
Base-Backbone interact. energy: -0.918
local terms energy: -689.518131
where:
bonds (distance) C4'-P energy: -123.910
bonds (distance) P-C4' energy: -140.779
flat angles C4'-P-C4' energy: -144.910
flat angles P-C4'-P energy: -85.328
tors. eta vs tors. theta energy: -194.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2130.245977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.245977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.245977 (E_RNA)
where:
Base-Base interactions energy: -1475.457
where: short stacking energy: -616.305
Base-Backbone interact. energy: -2.963
local terms energy: -651.825757
where:
bonds (distance) C4'-P energy: -113.192
bonds (distance) P-C4' energy: -126.824
flat angles C4'-P-C4' energy: -136.721
flat angles P-C4'-P energy: -101.819
tors. eta vs tors. theta energy: -173.270
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: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2050.013634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.013634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.013634 (E_RNA)
where:
Base-Base interactions energy: -1428.594
where: short stacking energy: -614.210
Base-Backbone interact. energy: -0.731
local terms energy: -620.689475
where:
bonds (distance) C4'-P energy: -110.797
bonds (distance) P-C4' energy: -122.746
flat angles C4'-P-C4' energy: -132.480
flat angles P-C4'-P energy: -86.747
tors. eta vs tors. theta energy: -167.918
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: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1987.013324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.013324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.013324 (E_RNA)
where:
Base-Base interactions energy: -1362.727
where: short stacking energy: -546.968
Base-Backbone interact. energy: -1.312
local terms energy: -622.974201
where:
bonds (distance) C4'-P energy: -111.953
bonds (distance) P-C4' energy: -127.198
flat angles C4'-P-C4' energy: -135.314
flat angles P-C4'-P energy: -77.336
tors. eta vs tors. theta energy: -171.174
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: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1730.985928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.985928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.985928 (E_RNA)
where:
Base-Base interactions energy: -1160.521
where: short stacking energy: -496.680
Base-Backbone interact. energy: -3.159
local terms energy: -567.305960
where:
bonds (distance) C4'-P energy: -113.828
bonds (distance) P-C4' energy: -123.918
flat angles C4'-P-C4' energy: -120.432
flat angles P-C4'-P energy: -65.471
tors. eta vs tors. theta energy: -143.657
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: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1478.668526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.668526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.668526 (E_RNA)
where:
Base-Base interactions energy: -933.396
where: short stacking energy: -423.192
Base-Backbone interact. energy: -3.265
local terms energy: -542.007939
where:
bonds (distance) C4'-P energy: -107.674
bonds (distance) P-C4' energy: -119.638
flat angles C4'-P-C4' energy: -122.077
flat angles P-C4'-P energy: -87.377
tors. eta vs tors. theta energy: -105.242
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: 370
Temperature: 1.250000
Total energy: -1329.020601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.020601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.020601 (E_RNA)
where:
Base-Base interactions energy: -828.533
where: short stacking energy: -365.113
Base-Backbone interact. energy: -2.481
local terms energy: -498.007007
where:
bonds (distance) C4'-P energy: -108.639
bonds (distance) P-C4' energy: -115.976
flat angles C4'-P-C4' energy: -112.554
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -75.898
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: 370
Temperature: 1.300000
Total energy: -1067.051134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.051134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.051134 (E_RNA)
where:
Base-Base interactions energy: -637.231
where: short stacking energy: -305.500
Base-Backbone interact. energy: -2.676
local terms energy: -427.144946
where:
bonds (distance) C4'-P energy: -120.659
bonds (distance) P-C4' energy: -106.941
flat angles C4'-P-C4' energy: -105.520
flat angles P-C4'-P energy: -46.648
tors. eta vs tors. theta energy: -47.377
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: 370
Temperature: 1.350000
Total energy: -847.824235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.824235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.824235 (E_RNA)
where:
Base-Base interactions energy: -497.664
where: short stacking energy: -255.145
Base-Backbone interact. energy: 5.262
local terms energy: -355.422574
where:
bonds (distance) C4'-P energy: -90.544
bonds (distance) P-C4' energy: -96.758
flat angles C4'-P-C4' energy: -85.303
flat angles P-C4'-P energy: -59.753
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: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2315.128341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.128341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.128341 (E_RNA)
where:
Base-Base interactions energy: -1576.805
where: short stacking energy: -696.360
Base-Backbone interact. energy: 0.228
local terms energy: -738.551555
where:
bonds (distance) C4'-P energy: -119.528
bonds (distance) P-C4' energy: -141.664
flat angles C4'-P-C4' energy: -149.160
flat angles P-C4'-P energy: -116.940
tors. eta vs tors. theta energy: -211.260
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: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2219.740009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.740009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.740009 (E_RNA)
where:
Base-Base interactions energy: -1514.114
where: short stacking energy: -652.416
Base-Backbone interact. energy: 0.314
local terms energy: -705.939649
where:
bonds (distance) C4'-P energy: -133.412
bonds (distance) P-C4' energy: -128.610
flat angles C4'-P-C4' energy: -148.404
flat angles P-C4'-P energy: -98.342
tors. eta vs tors. theta energy: -197.172
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: 371
Temperature: 1.000000
Total energy: -2138.836316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.836316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.836316 (E_RNA)
where:
Base-Base interactions energy: -1466.780
where: short stacking energy: -620.498
Base-Backbone interact. energy: -3.515
local terms energy: -668.541318
where:
bonds (distance) C4'-P energy: -117.434
bonds (distance) P-C4' energy: -124.591
flat angles C4'-P-C4' energy: -154.245
flat angles P-C4'-P energy: -96.288
tors. eta vs tors. theta energy: -175.983
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: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2086.543793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.543793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.543793 (E_RNA)
where:
Base-Base interactions energy: -1424.319
where: short stacking energy: -597.782
Base-Backbone interact. energy: -3.161
local terms energy: -659.063677
where:
bonds (distance) C4'-P energy: -127.369
bonds (distance) P-C4' energy: -115.812
flat angles C4'-P-C4' energy: -148.502
flat angles P-C4'-P energy: -83.297
tors. eta vs tors. theta energy: -184.084
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: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1948.760848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.760848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.760848 (E_RNA)
where:
Base-Base interactions energy: -1325.524
where: short stacking energy: -564.700
Base-Backbone interact. energy: -3.230
local terms energy: -620.007007
where:
bonds (distance) C4'-P energy: -113.467
bonds (distance) P-C4' energy: -133.817
flat angles C4'-P-C4' energy: -118.831
flat angles P-C4'-P energy: -92.443
tors. eta vs tors. theta energy: -161.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1741.130926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.130926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.130926 (E_RNA)
where:
Base-Base interactions energy: -1182.915
where: short stacking energy: -517.006
Base-Backbone interact. energy: 0.913
local terms energy: -559.129479
where:
bonds (distance) C4'-P energy: -109.047
bonds (distance) P-C4' energy: -111.062
flat angles C4'-P-C4' energy: -123.003
flat angles P-C4'-P energy: -79.160
tors. eta vs tors. theta energy: -136.857
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: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1489.194625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.194625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.194625 (E_RNA)
where:
Base-Base interactions energy: -942.773
where: short stacking energy: -438.527
Base-Backbone interact. energy: -1.085
local terms energy: -545.336888
where:
bonds (distance) C4'-P energy: -108.158
bonds (distance) P-C4' energy: -124.591
flat angles C4'-P-C4' energy: -123.000
flat angles P-C4'-P energy: -83.286
tors. eta vs tors. theta energy: -106.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1338.099974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.099974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.099974 (E_RNA)
where:
Base-Base interactions energy: -855.880
where: short stacking energy: -370.440
Base-Backbone interact. energy: -0.570
local terms energy: -481.649277
where:
bonds (distance) C4'-P energy: -100.574
bonds (distance) P-C4' energy: -113.057
flat angles C4'-P-C4' energy: -107.286
flat angles P-C4'-P energy: -76.302
tors. eta vs tors. theta energy: -84.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1085.709351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.709351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.709351 (E_RNA)
where:
Base-Base interactions energy: -653.415
where: short stacking energy: -303.125
Base-Backbone interact. energy: -1.491
local terms energy: -430.803209
where:
bonds (distance) C4'-P energy: -90.532
bonds (distance) P-C4' energy: -130.346
flat angles C4'-P-C4' energy: -100.247
flat angles P-C4'-P energy: -71.657
tors. eta vs tors. theta energy: -38.021
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: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -858.747621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.747621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.747621 (E_RNA)
where:
Base-Base interactions energy: -480.080
where: short stacking energy: -233.097
Base-Backbone interact. energy: -2.041
local terms energy: -376.626806
where:
bonds (distance) C4'-P energy: -105.500
bonds (distance) P-C4' energy: -97.233
flat angles C4'-P-C4' energy: -91.278
flat angles P-C4'-P energy: -74.580
tors. eta vs tors. theta energy: -8.035
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: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2298.950397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.950397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.950397 (E_RNA)
where:
Base-Base interactions energy: -1571.625
where: short stacking energy: -676.740
Base-Backbone interact. energy: -2.283
local terms energy: -725.042320
where:
bonds (distance) C4'-P energy: -134.170
bonds (distance) P-C4' energy: -147.866
flat angles C4'-P-C4' energy: -147.549
flat angles P-C4'-P energy: -89.054
tors. eta vs tors. theta energy: -206.403
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: 372
Temperature: 0.950000
Total energy: -2264.860455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.860455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.860455 (E_RNA)
where:
Base-Base interactions energy: -1561.082
where: short stacking energy: -674.962
Base-Backbone interact. energy: -2.573
local terms energy: -701.205467
where:
bonds (distance) C4'-P energy: -110.172
bonds (distance) P-C4' energy: -140.143
flat angles C4'-P-C4' energy: -147.103
flat angles P-C4'-P energy: -96.283
tors. eta vs tors. theta energy: -207.504
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: 372
Temperature: 1.000000
Total energy: -2135.731066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.731066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.731066 (E_RNA)
where:
Base-Base interactions energy: -1467.246
where: short stacking energy: -609.918
Base-Backbone interact. energy: -4.387
local terms energy: -664.098202
where:
bonds (distance) C4'-P energy: -136.787
bonds (distance) P-C4' energy: -120.624
flat angles C4'-P-C4' energy: -144.853
flat angles P-C4'-P energy: -83.633
tors. eta vs tors. theta energy: -178.201
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: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2043.137023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.137023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.137023 (E_RNA)
where:
Base-Base interactions energy: -1417.812
where: short stacking energy: -582.356
Base-Backbone interact. energy: 0.262
local terms energy: -625.586508
where:
bonds (distance) C4'-P energy: -128.209
bonds (distance) P-C4' energy: -128.255
flat angles C4'-P-C4' energy: -120.625
flat angles P-C4'-P energy: -89.783
tors. eta vs tors. theta energy: -158.715
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: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1924.498216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.498216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.498216 (E_RNA)
where:
Base-Base interactions energy: -1308.092
where: short stacking energy: -527.273
Base-Backbone interact. energy: -4.104
local terms energy: -612.302786
where:
bonds (distance) C4'-P energy: -120.951
bonds (distance) P-C4' energy: -127.304
flat angles C4'-P-C4' energy: -139.230
flat angles P-C4'-P energy: -88.392
tors. eta vs tors. theta energy: -136.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1699.541051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.541051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.541051 (E_RNA)
where:
Base-Base interactions energy: -1148.622
where: short stacking energy: -503.833
Base-Backbone interact. energy: -1.018
local terms energy: -549.900597
where:
bonds (distance) C4'-P energy: -110.368
bonds (distance) P-C4' energy: -109.275
flat angles C4'-P-C4' energy: -140.478
flat angles P-C4'-P energy: -64.444
tors. eta vs tors. theta energy: -125.336
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: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1556.635595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.635595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.635595 (E_RNA)
where:
Base-Base interactions energy: -1019.642
where: short stacking energy: -454.060
Base-Backbone interact. energy: -4.586
local terms energy: -532.407375
where:
bonds (distance) C4'-P energy: -108.943
bonds (distance) P-C4' energy: -123.594
flat angles C4'-P-C4' energy: -112.744
flat angles P-C4'-P energy: -72.149
tors. eta vs tors. theta energy: -114.978
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: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1314.870394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.870394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.870394 (E_RNA)
where:
Base-Base interactions energy: -847.398
where: short stacking energy: -382.232
Base-Backbone interact. energy: 10.868
local terms energy: -478.340673
where:
bonds (distance) C4'-P energy: -101.230
bonds (distance) P-C4' energy: -130.789
flat angles C4'-P-C4' energy: -109.698
flat angles P-C4'-P energy: -69.720
tors. eta vs tors. theta energy: -66.904
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: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -956.583844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.583844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.583844 (E_RNA)
where:
Base-Base interactions energy: -572.765
where: short stacking energy: -257.017
Base-Backbone interact. energy: 0.335
local terms energy: -384.153228
where:
bonds (distance) C4'-P energy: -102.319
bonds (distance) P-C4' energy: -120.990
flat angles C4'-P-C4' energy: -99.195
flat angles P-C4'-P energy: -48.602
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -923.267658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.267658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.267658 (E_RNA)
where:
Base-Base interactions energy: -527.401
where: short stacking energy: -269.827
Base-Backbone interact. energy: 1.359
local terms energy: -397.225912
where:
bonds (distance) C4'-P energy: -91.006
bonds (distance) P-C4' energy: -106.549
flat angles C4'-P-C4' energy: -88.606
flat angles P-C4'-P energy: -60.634
tors. eta vs tors. theta energy: -50.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2330.700064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.700064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.700064 (E_RNA)
where:
Base-Base interactions energy: -1583.767
where: short stacking energy: -705.357
Base-Backbone interact. energy: -2.062
local terms energy: -744.870418
where:
bonds (distance) C4'-P energy: -131.238
bonds (distance) P-C4' energy: -120.397
flat angles C4'-P-C4' energy: -158.579
flat angles P-C4'-P energy: -117.665
tors. eta vs tors. theta energy: -216.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2282.574896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.574896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.574896 (E_RNA)
where:
Base-Base interactions energy: -1565.022
where: short stacking energy: -683.443
Base-Backbone interact. energy: 1.476
local terms energy: -719.029447
where:
bonds (distance) C4'-P energy: -125.601
bonds (distance) P-C4' energy: -133.410
flat angles C4'-P-C4' energy: -156.912
flat angles P-C4'-P energy: -102.699
tors. eta vs tors. theta energy: -200.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2174.479141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.479141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.479141 (E_RNA)
where:
Base-Base interactions energy: -1507.664
where: short stacking energy: -623.195
Base-Backbone interact. energy: -3.015
local terms energy: -663.799668
where:
bonds (distance) C4'-P energy: -133.577
bonds (distance) P-C4' energy: -127.213
flat angles C4'-P-C4' energy: -136.407
flat angles P-C4'-P energy: -93.315
tors. eta vs tors. theta energy: -173.287
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: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2071.865683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.865683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.865683 (E_RNA)
where:
Base-Base interactions energy: -1442.430
where: short stacking energy: -602.986
Base-Backbone interact. energy: -0.874
local terms energy: -628.561797
where:
bonds (distance) C4'-P energy: -113.913
bonds (distance) P-C4' energy: -129.325
flat angles C4'-P-C4' energy: -138.337
flat angles P-C4'-P energy: -89.560
tors. eta vs tors. theta energy: -157.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1925.428519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.428519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.428519 (E_RNA)
where:
Base-Base interactions energy: -1305.360
where: short stacking energy: -513.574
Base-Backbone interact. energy: -2.828
local terms energy: -617.240561
where:
bonds (distance) C4'-P energy: -115.737
bonds (distance) P-C4' energy: -131.000
flat angles C4'-P-C4' energy: -144.156
flat angles P-C4'-P energy: -91.675
tors. eta vs tors. theta energy: -134.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1729.642589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.642589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.642589 (E_RNA)
where:
Base-Base interactions energy: -1146.754
where: short stacking energy: -517.279
Base-Backbone interact. energy: 0.728
local terms energy: -583.617234
where:
bonds (distance) C4'-P energy: -124.363
bonds (distance) P-C4' energy: -130.985
flat angles C4'-P-C4' energy: -109.197
flat angles P-C4'-P energy: -90.091
tors. eta vs tors. theta energy: -128.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1535.511531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.511531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.511531 (E_RNA)
where:
Base-Base interactions energy: -1014.187
where: short stacking energy: -465.793
Base-Backbone interact. energy: 1.154
local terms energy: -522.478259
where:
bonds (distance) C4'-P energy: -114.383
bonds (distance) P-C4' energy: -90.602
flat angles C4'-P-C4' energy: -116.404
flat angles P-C4'-P energy: -83.858
tors. eta vs tors. theta energy: -117.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1258.497586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.497586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.497586 (E_RNA)
where:
Base-Base interactions energy: -797.975
where: short stacking energy: -390.962
Base-Backbone interact. energy: 2.131
local terms energy: -462.653514
where:
bonds (distance) C4'-P energy: -113.075
bonds (distance) P-C4' energy: -107.595
flat angles C4'-P-C4' energy: -113.173
flat angles P-C4'-P energy: -66.477
tors. eta vs tors. theta energy: -62.333
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: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1052.876198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.876198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.876198 (E_RNA)
where:
Base-Base interactions energy: -647.905
where: short stacking energy: -318.472
Base-Backbone interact. energy: 0.417
local terms energy: -405.388777
where:
bonds (distance) C4'-P energy: -103.653
bonds (distance) P-C4' energy: -113.972
flat angles C4'-P-C4' energy: -92.400
flat angles P-C4'-P energy: -52.471
tors. eta vs tors. theta energy: -42.892
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: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -833.875383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.875383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.875383 (E_RNA)
where:
Base-Base interactions energy: -434.754
where: short stacking energy: -226.565
Base-Backbone interact. energy: -0.136
local terms energy: -398.985520
where:
bonds (distance) C4'-P energy: -121.077
bonds (distance) P-C4' energy: -99.111
flat angles C4'-P-C4' energy: -101.329
flat angles P-C4'-P energy: -66.136
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2319.490232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.490232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.490232 (E_RNA)
where:
Base-Base interactions energy: -1617.154
where: short stacking energy: -690.452
Base-Backbone interact. energy: 3.413
local terms energy: -705.749032
where:
bonds (distance) C4'-P energy: -121.412
bonds (distance) P-C4' energy: -128.588
flat angles C4'-P-C4' energy: -144.284
flat angles P-C4'-P energy: -105.032
tors. eta vs tors. theta energy: -206.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2300.842351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.842351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.842351 (E_RNA)
where:
Base-Base interactions energy: -1597.408
where: short stacking energy: -708.186
Base-Backbone interact. energy: -0.935
local terms energy: -702.499704
where:
bonds (distance) C4'-P energy: -124.817
bonds (distance) P-C4' energy: -135.144
flat angles C4'-P-C4' energy: -141.252
flat angles P-C4'-P energy: -88.562
tors. eta vs tors. theta energy: -212.725
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: 374
Temperature: 1.000000
Total energy: -2111.597572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.597572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.597572 (E_RNA)
where:
Base-Base interactions energy: -1475.611
where: short stacking energy: -613.082
Base-Backbone interact. energy: -1.727
local terms energy: -634.259683
where:
bonds (distance) C4'-P energy: -118.373
bonds (distance) P-C4' energy: -121.168
flat angles C4'-P-C4' energy: -126.766
flat angles P-C4'-P energy: -95.457
tors. eta vs tors. theta energy: -172.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2064.018433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.018433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.018433 (E_RNA)
where:
Base-Base interactions energy: -1400.907
where: short stacking energy: -587.339
Base-Backbone interact. energy: -3.139
local terms energy: -659.972162
where:
bonds (distance) C4'-P energy: -131.671
bonds (distance) P-C4' energy: -121.596
flat angles C4'-P-C4' energy: -142.915
flat angles P-C4'-P energy: -84.143
tors. eta vs tors. theta energy: -179.646
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: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1913.608144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.608144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.608144 (E_RNA)
where:
Base-Base interactions energy: -1305.168
where: short stacking energy: -554.187
Base-Backbone interact. energy: 1.691
local terms energy: -610.130654
where:
bonds (distance) C4'-P energy: -122.806
bonds (distance) P-C4' energy: -106.643
flat angles C4'-P-C4' energy: -140.012
flat angles P-C4'-P energy: -81.173
tors. eta vs tors. theta energy: -159.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1769.289674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.289674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.289674 (E_RNA)
where:
Base-Base interactions energy: -1155.036
where: short stacking energy: -523.642
Base-Backbone interact. energy: 0.708
local terms energy: -614.961923
where:
bonds (distance) C4'-P energy: -131.803
bonds (distance) P-C4' energy: -122.382
flat angles C4'-P-C4' energy: -135.385
flat angles P-C4'-P energy: -80.535
tors. eta vs tors. theta energy: -144.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1535.831764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.831764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.831764 (E_RNA)
where:
Base-Base interactions energy: -1003.061
where: short stacking energy: -449.001
Base-Backbone interact. energy: -2.658
local terms energy: -530.112425
where:
bonds (distance) C4'-P energy: -102.961
bonds (distance) P-C4' energy: -110.155
flat angles C4'-P-C4' energy: -118.584
flat angles P-C4'-P energy: -86.612
tors. eta vs tors. theta energy: -111.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1243.899183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.899183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.899183 (E_RNA)
where:
Base-Base interactions energy: -793.431
where: short stacking energy: -355.657
Base-Backbone interact. energy: 1.237
local terms energy: -451.704549
where:
bonds (distance) C4'-P energy: -96.450
bonds (distance) P-C4' energy: -115.359
flat angles C4'-P-C4' energy: -110.752
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -58.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1044.806877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.806877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.806877 (E_RNA)
where:
Base-Base interactions energy: -638.953
where: short stacking energy: -308.888
Base-Backbone interact. energy: 3.296
local terms energy: -409.149594
where:
bonds (distance) C4'-P energy: -105.520
bonds (distance) P-C4' energy: -107.637
flat angles C4'-P-C4' energy: -90.329
flat angles P-C4'-P energy: -48.534
tors. eta vs tors. theta energy: -57.130
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: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -854.375229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.375229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.375229 (E_RNA)
where:
Base-Base interactions energy: -477.931
where: short stacking energy: -259.759
Base-Backbone interact. energy: 4.008
local terms energy: -380.451813
where:
bonds (distance) C4'-P energy: -117.188
bonds (distance) P-C4' energy: -104.326
flat angles C4'-P-C4' energy: -92.652
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2329.505473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.505473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.505473 (E_RNA)
where:
Base-Base interactions energy: -1580.390
where: short stacking energy: -677.547
Base-Backbone interact. energy: -4.124
local terms energy: -744.991979
where:
bonds (distance) C4'-P energy: -134.003
bonds (distance) P-C4' energy: -146.840
flat angles C4'-P-C4' energy: -157.379
flat angles P-C4'-P energy: -93.058
tors. eta vs tors. theta energy: -213.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2287.548950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.548950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.548950 (E_RNA)
where:
Base-Base interactions energy: -1565.108
where: short stacking energy: -688.505
Base-Backbone interact. energy: -3.995
local terms energy: -718.446664
where:
bonds (distance) C4'-P energy: -127.017
bonds (distance) P-C4' energy: -120.225
flat angles C4'-P-C4' energy: -149.932
flat angles P-C4'-P energy: -112.580
tors. eta vs tors. theta energy: -208.693
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: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2076.582719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.582719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.582719 (E_RNA)
where:
Base-Base interactions energy: -1430.629
where: short stacking energy: -597.632
Base-Backbone interact. energy: -1.667
local terms energy: -644.286690
where:
bonds (distance) C4'-P energy: -126.203
bonds (distance) P-C4' energy: -124.196
flat angles C4'-P-C4' energy: -144.778
flat angles P-C4'-P energy: -88.193
tors. eta vs tors. theta energy: -160.918
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: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2041.719152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.719152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.719152 (E_RNA)
where:
Base-Base interactions energy: -1389.671
where: short stacking energy: -623.596
Base-Backbone interact. energy: -3.464
local terms energy: -648.584292
where:
bonds (distance) C4'-P energy: -115.233
bonds (distance) P-C4' energy: -124.877
flat angles C4'-P-C4' energy: -140.133
flat angles P-C4'-P energy: -83.524
tors. eta vs tors. theta energy: -184.818
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: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1917.534433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.534433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.534433 (E_RNA)
where:
Base-Base interactions energy: -1288.149
where: short stacking energy: -542.876
Base-Backbone interact. energy: -1.082
local terms energy: -628.302708
where:
bonds (distance) C4'-P energy: -118.437
bonds (distance) P-C4' energy: -131.780
flat angles C4'-P-C4' energy: -128.912
flat angles P-C4'-P energy: -95.888
tors. eta vs tors. theta energy: -153.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1769.517116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.517116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.517116 (E_RNA)
where:
Base-Base interactions energy: -1177.718
where: short stacking energy: -529.968
Base-Backbone interact. energy: -4.620
local terms energy: -587.179395
where:
bonds (distance) C4'-P energy: -111.112
bonds (distance) P-C4' energy: -112.064
flat angles C4'-P-C4' energy: -133.258
flat angles P-C4'-P energy: -81.196
tors. eta vs tors. theta energy: -149.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1551.712395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.712395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.712395 (E_RNA)
where:
Base-Base interactions energy: -996.361
where: short stacking energy: -462.968
Base-Backbone interact. energy: -0.003
local terms energy: -555.348653
where:
bonds (distance) C4'-P energy: -110.568
bonds (distance) P-C4' energy: -121.763
flat angles C4'-P-C4' energy: -127.134
flat angles P-C4'-P energy: -79.249
tors. eta vs tors. theta energy: -116.635
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: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1275.689325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.689325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.689325 (E_RNA)
where:
Base-Base interactions energy: -790.669
where: short stacking energy: -337.464
Base-Backbone interact. energy: -1.840
local terms energy: -483.180797
where:
bonds (distance) C4'-P energy: -117.094
bonds (distance) P-C4' energy: -114.006
flat angles C4'-P-C4' energy: -116.120
flat angles P-C4'-P energy: -74.977
tors. eta vs tors. theta energy: -60.984
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: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1046.010361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.010361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.010361 (E_RNA)
where:
Base-Base interactions energy: -599.520
where: short stacking energy: -307.112
Base-Backbone interact. energy: -1.035
local terms energy: -445.455245
where:
bonds (distance) C4'-P energy: -107.706
bonds (distance) P-C4' energy: -94.685
flat angles C4'-P-C4' energy: -116.396
flat angles P-C4'-P energy: -69.441
tors. eta vs tors. theta energy: -57.228
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: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -863.219883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.219883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.219883 (E_RNA)
where:
Base-Base interactions energy: -461.726
where: short stacking energy: -243.038
Base-Backbone interact. energy: -2.831
local terms energy: -398.662345
where:
bonds (distance) C4'-P energy: -100.407
bonds (distance) P-C4' energy: -91.521
flat angles C4'-P-C4' energy: -116.065
flat angles P-C4'-P energy: -64.547
tors. eta vs tors. theta energy: -26.124
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: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2318.958453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.958453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.958453 (E_RNA)
where:
Base-Base interactions energy: -1616.997
where: short stacking energy: -689.059
Base-Backbone interact. energy: -2.647
local terms energy: -699.314944
where:
bonds (distance) C4'-P energy: -124.422
bonds (distance) P-C4' energy: -138.413
flat angles C4'-P-C4' energy: -150.322
flat angles P-C4'-P energy: -81.521
tors. eta vs tors. theta energy: -204.638
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: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2310.324231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.324231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.324231 (E_RNA)
where:
Base-Base interactions energy: -1601.577
where: short stacking energy: -705.340
Base-Backbone interact. energy: -1.823
local terms energy: -706.924781
where:
bonds (distance) C4'-P energy: -113.282
bonds (distance) P-C4' energy: -127.061
flat angles C4'-P-C4' energy: -144.077
flat angles P-C4'-P energy: -103.110
tors. eta vs tors. theta energy: -219.394
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: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2088.965750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.965750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.965750 (E_RNA)
where:
Base-Base interactions energy: -1452.661
where: short stacking energy: -600.072
Base-Backbone interact. energy: 2.422
local terms energy: -638.726839
where:
bonds (distance) C4'-P energy: -120.238
bonds (distance) P-C4' energy: -124.855
flat angles C4'-P-C4' energy: -145.357
flat angles P-C4'-P energy: -88.957
tors. eta vs tors. theta energy: -159.319
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: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2038.554458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.554458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.554458 (E_RNA)
where:
Base-Base interactions energy: -1405.108
where: short stacking energy: -611.778
Base-Backbone interact. energy: -1.381
local terms energy: -632.065321
where:
bonds (distance) C4'-P energy: -116.889
bonds (distance) P-C4' energy: -116.222
flat angles C4'-P-C4' energy: -129.964
flat angles P-C4'-P energy: -93.201
tors. eta vs tors. theta energy: -175.790
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: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1936.120713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.120713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.120713 (E_RNA)
where:
Base-Base interactions energy: -1322.799
where: short stacking energy: -586.000
Base-Backbone interact. energy: 2.594
local terms energy: -615.916098
where:
bonds (distance) C4'-P energy: -94.819
bonds (distance) P-C4' energy: -122.429
flat angles C4'-P-C4' energy: -144.600
flat angles P-C4'-P energy: -92.307
tors. eta vs tors. theta energy: -161.762
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: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1705.505703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.505703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.505703 (E_RNA)
where:
Base-Base interactions energy: -1114.190
where: short stacking energy: -493.887
Base-Backbone interact. energy: -0.544
local terms energy: -590.770814
where:
bonds (distance) C4'-P energy: -115.992
bonds (distance) P-C4' energy: -136.417
flat angles C4'-P-C4' energy: -132.656
flat angles P-C4'-P energy: -70.656
tors. eta vs tors. theta energy: -135.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1522.415467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.415467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.415467 (E_RNA)
where:
Base-Base interactions energy: -984.732
where: short stacking energy: -449.820
Base-Backbone interact. energy: -2.258
local terms energy: -535.425017
where:
bonds (distance) C4'-P energy: -118.668
bonds (distance) P-C4' energy: -110.156
flat angles C4'-P-C4' energy: -119.803
flat angles P-C4'-P energy: -72.801
tors. eta vs tors. theta energy: -113.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1270.098095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.098095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.098095 (E_RNA)
where:
Base-Base interactions energy: -776.444
where: short stacking energy: -386.433
Base-Backbone interact. energy: -2.017
local terms energy: -491.637633
where:
bonds (distance) C4'-P energy: -111.460
bonds (distance) P-C4' energy: -102.721
flat angles C4'-P-C4' energy: -107.016
flat angles P-C4'-P energy: -80.946
tors. eta vs tors. theta energy: -89.495
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: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1031.318762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.318762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.318762 (E_RNA)
where:
Base-Base interactions energy: -611.593
where: short stacking energy: -271.175
Base-Backbone interact. energy: 2.295
local terms energy: -422.020632
where:
bonds (distance) C4'-P energy: -107.884
bonds (distance) P-C4' energy: -123.856
flat angles C4'-P-C4' energy: -86.636
flat angles P-C4'-P energy: -74.945
tors. eta vs tors. theta energy: -28.699
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: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -847.686609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.686609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.686609 (E_RNA)
where:
Base-Base interactions energy: -470.103
where: short stacking energy: -231.198
Base-Backbone interact. energy: 0.914
local terms energy: -378.497252
where:
bonds (distance) C4'-P energy: -117.191
bonds (distance) P-C4' energy: -94.677
flat angles C4'-P-C4' energy: -111.485
flat angles P-C4'-P energy: -48.925
tors. eta vs tors. theta energy: -6.220
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: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2295.468678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.468678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.468678 (E_RNA)
where:
Base-Base interactions energy: -1575.917
where: short stacking energy: -665.703
Base-Backbone interact. energy: -1.019
local terms energy: -718.532501
where:
bonds (distance) C4'-P energy: -135.007
bonds (distance) P-C4' energy: -138.633
flat angles C4'-P-C4' energy: -144.215
flat angles P-C4'-P energy: -94.929
tors. eta vs tors. theta energy: -205.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2296.346246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.346246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.346246 (E_RNA)
where:
Base-Base interactions energy: -1567.386
where: short stacking energy: -680.453
Base-Backbone interact. energy: -2.585
local terms energy: -726.375962
where:
bonds (distance) C4'-P energy: -125.233
bonds (distance) P-C4' energy: -134.979
flat angles C4'-P-C4' energy: -157.565
flat angles P-C4'-P energy: -94.454
tors. eta vs tors. theta energy: -214.145
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: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2086.987810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.987810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.987810 (E_RNA)
where:
Base-Base interactions energy: -1439.795
where: short stacking energy: -615.101
Base-Backbone interact. energy: -0.917
local terms energy: -646.275861
where:
bonds (distance) C4'-P energy: -119.648
bonds (distance) P-C4' energy: -133.424
flat angles C4'-P-C4' energy: -136.360
flat angles P-C4'-P energy: -95.717
tors. eta vs tors. theta energy: -161.127
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: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2049.632581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.632581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.632581 (E_RNA)
where:
Base-Base interactions energy: -1415.003
where: short stacking energy: -602.369
Base-Backbone interact. energy: -1.959
local terms energy: -632.670569
where:
bonds (distance) C4'-P energy: -108.194
bonds (distance) P-C4' energy: -124.389
flat angles C4'-P-C4' energy: -138.194
flat angles P-C4'-P energy: -88.375
tors. eta vs tors. theta energy: -173.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1912.798766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.798766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.798766 (E_RNA)
where:
Base-Base interactions energy: -1334.507
where: short stacking energy: -537.428
Base-Backbone interact. energy: -1.413
local terms energy: -576.878131
where:
bonds (distance) C4'-P energy: -109.573
bonds (distance) P-C4' energy: -104.818
flat angles C4'-P-C4' energy: -123.521
flat angles P-C4'-P energy: -88.851
tors. eta vs tors. theta energy: -150.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1708.391182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.391182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.391182 (E_RNA)
where:
Base-Base interactions energy: -1139.636
where: short stacking energy: -501.061
Base-Backbone interact. energy: 0.798
local terms energy: -569.553460
where:
bonds (distance) C4'-P energy: -122.617
bonds (distance) P-C4' energy: -105.868
flat angles C4'-P-C4' energy: -139.406
flat angles P-C4'-P energy: -68.408
tors. eta vs tors. theta energy: -133.254
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: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1534.589201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.589201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.589201 (E_RNA)
where:
Base-Base interactions energy: -997.794
where: short stacking energy: -448.509
Base-Backbone interact. energy: -3.684
local terms energy: -533.111686
where:
bonds (distance) C4'-P energy: -107.947
bonds (distance) P-C4' energy: -114.537
flat angles C4'-P-C4' energy: -120.731
flat angles P-C4'-P energy: -79.250
tors. eta vs tors. theta energy: -110.646
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: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1256.448043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.448043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.448043 (E_RNA)
where:
Base-Base interactions energy: -764.033
where: short stacking energy: -344.344
Base-Backbone interact. energy: -0.771
local terms energy: -491.644337
where:
bonds (distance) C4'-P energy: -107.093
bonds (distance) P-C4' energy: -126.659
flat angles C4'-P-C4' energy: -118.971
flat angles P-C4'-P energy: -83.120
tors. eta vs tors. theta energy: -55.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1002.845272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.845272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.845272 (E_RNA)
where:
Base-Base interactions energy: -572.491
where: short stacking energy: -283.241
Base-Backbone interact. energy: 2.222
local terms energy: -432.575508
where:
bonds (distance) C4'-P energy: -108.559
bonds (distance) P-C4' energy: -105.128
flat angles C4'-P-C4' energy: -119.065
flat angles P-C4'-P energy: -74.062
tors. eta vs tors. theta energy: -25.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -882.601014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.601014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.601014 (E_RNA)
where:
Base-Base interactions energy: -516.096
where: short stacking energy: -270.075
Base-Backbone interact. energy: 1.320
local terms energy: -367.825022
where:
bonds (distance) C4'-P energy: -91.795
bonds (distance) P-C4' energy: -98.591
flat angles C4'-P-C4' energy: -99.886
flat angles P-C4'-P energy: -52.373
tors. eta vs tors. theta energy: -25.180
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: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2312.964579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.964579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.964579 (E_RNA)
where:
Base-Base interactions energy: -1603.098
where: short stacking energy: -689.395
Base-Backbone interact. energy: -4.824
local terms energy: -705.042582
where:
bonds (distance) C4'-P energy: -124.001
bonds (distance) P-C4' energy: -138.651
flat angles C4'-P-C4' energy: -146.143
flat angles P-C4'-P energy: -85.229
tors. eta vs tors. theta energy: -211.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2297.487105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.487105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.487105 (E_RNA)
where:
Base-Base interactions energy: -1581.833
where: short stacking energy: -692.838
Base-Backbone interact. energy: -2.317
local terms energy: -713.337456
where:
bonds (distance) C4'-P energy: -127.605
bonds (distance) P-C4' energy: -120.697
flat angles C4'-P-C4' energy: -147.118
flat angles P-C4'-P energy: -99.467
tors. eta vs tors. theta energy: -218.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2124.232626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.232626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.232626 (E_RNA)
where:
Base-Base interactions energy: -1470.315
where: short stacking energy: -604.792
Base-Backbone interact. energy: 1.976
local terms energy: -655.893385
where:
bonds (distance) C4'-P energy: -130.273
bonds (distance) P-C4' energy: -127.582
flat angles C4'-P-C4' energy: -150.154
flat angles P-C4'-P energy: -82.330
tors. eta vs tors. theta energy: -165.554
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: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2040.906980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.906980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.906980 (E_RNA)
where:
Base-Base interactions energy: -1408.792
where: short stacking energy: -614.409
Base-Backbone interact. energy: -0.552
local terms energy: -631.562685
where:
bonds (distance) C4'-P energy: -127.430
bonds (distance) P-C4' energy: -115.042
flat angles C4'-P-C4' energy: -136.104
flat angles P-C4'-P energy: -77.596
tors. eta vs tors. theta energy: -175.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1949.724981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.724981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.724981 (E_RNA)
where:
Base-Base interactions energy: -1303.483
where: short stacking energy: -562.652
Base-Backbone interact. energy: -0.053
local terms energy: -646.189393
where:
bonds (distance) C4'-P energy: -128.725
bonds (distance) P-C4' energy: -117.232
flat angles C4'-P-C4' energy: -139.151
flat angles P-C4'-P energy: -96.895
tors. eta vs tors. theta energy: -164.185
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: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1810.346164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.346164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.346164 (E_RNA)
where:
Base-Base interactions energy: -1224.491
where: short stacking energy: -514.538
Base-Backbone interact. energy: -0.753
local terms energy: -585.101801
where:
bonds (distance) C4'-P energy: -123.334
bonds (distance) P-C4' energy: -106.443
flat angles C4'-P-C4' energy: -126.280
flat angles P-C4'-P energy: -73.789
tors. eta vs tors. theta energy: -155.256
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: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1544.541962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.541962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.541962 (E_RNA)
where:
Base-Base interactions energy: -988.251
where: short stacking energy: -468.950
Base-Backbone interact. energy: -3.176
local terms energy: -553.115286
where:
bonds (distance) C4'-P energy: -118.683
bonds (distance) P-C4' energy: -125.058
flat angles C4'-P-C4' energy: -130.981
flat angles P-C4'-P energy: -61.822
tors. eta vs tors. theta energy: -116.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1234.940453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.940453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.940453 (E_RNA)
where:
Base-Base interactions energy: -773.004
where: short stacking energy: -338.897
Base-Backbone interact. energy: 1.005
local terms energy: -462.941628
where:
bonds (distance) C4'-P energy: -117.070
bonds (distance) P-C4' energy: -118.915
flat angles C4'-P-C4' energy: -115.010
flat angles P-C4'-P energy: -51.264
tors. eta vs tors. theta energy: -60.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1040.813648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.813648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.813648 (E_RNA)
where:
Base-Base interactions energy: -618.697
where: short stacking energy: -287.764
Base-Backbone interact. energy: 4.133
local terms energy: -426.249489
where:
bonds (distance) C4'-P energy: -111.435
bonds (distance) P-C4' energy: -121.175
flat angles C4'-P-C4' energy: -86.927
flat angles P-C4'-P energy: -66.606
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: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -868.234199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.234199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.234199 (E_RNA)
where:
Base-Base interactions energy: -458.840
where: short stacking energy: -234.215
Base-Backbone interact. energy: 6.052
local terms energy: -415.446352
where:
bonds (distance) C4'-P energy: -95.447
bonds (distance) P-C4' energy: -102.157
flat angles C4'-P-C4' energy: -116.326
flat angles P-C4'-P energy: -76.548
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2340.342358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.342358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.342358 (E_RNA)
where:
Base-Base interactions energy: -1600.647
where: short stacking energy: -663.822
Base-Backbone interact. energy: -3.635
local terms energy: -736.060494
where:
bonds (distance) C4'-P energy: -148.823
bonds (distance) P-C4' energy: -127.794
flat angles C4'-P-C4' energy: -159.396
flat angles P-C4'-P energy: -100.115
tors. eta vs tors. theta energy: -199.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2286.403410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.403410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.403410 (E_RNA)
where:
Base-Base interactions energy: -1580.342
where: short stacking energy: -700.839
Base-Backbone interact. energy: -1.601
local terms energy: -704.461086
where:
bonds (distance) C4'-P energy: -118.066
bonds (distance) P-C4' energy: -130.655
flat angles C4'-P-C4' energy: -148.345
flat angles P-C4'-P energy: -99.597
tors. eta vs tors. theta energy: -207.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2161.404324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.404324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.404324 (E_RNA)
where:
Base-Base interactions energy: -1489.137
where: short stacking energy: -659.840
Base-Backbone interact. energy: -0.660
local terms energy: -671.607712
where:
bonds (distance) C4'-P energy: -127.385
bonds (distance) P-C4' energy: -131.786
flat angles C4'-P-C4' energy: -130.524
flat angles P-C4'-P energy: -87.883
tors. eta vs tors. theta energy: -194.029
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: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2055.974842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.974842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.974842 (E_RNA)
where:
Base-Base interactions energy: -1416.660
where: short stacking energy: -595.337
Base-Backbone interact. energy: 5.998
local terms energy: -645.313345
where:
bonds (distance) C4'-P energy: -116.812
bonds (distance) P-C4' energy: -118.927
flat angles C4'-P-C4' energy: -131.987
flat angles P-C4'-P energy: -103.802
tors. eta vs tors. theta energy: -173.784
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: 379
Temperature: 1.100000
Total energy: -1949.180074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.180074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.180074 (E_RNA)
where:
Base-Base interactions energy: -1309.705
where: short stacking energy: -545.126
Base-Backbone interact. energy: -2.243
local terms energy: -637.232275
where:
bonds (distance) C4'-P energy: -119.983
bonds (distance) P-C4' energy: -120.705
flat angles C4'-P-C4' energy: -138.945
flat angles P-C4'-P energy: -88.669
tors. eta vs tors. theta energy: -168.929
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: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1777.655575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.655575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.655575 (E_RNA)
where:
Base-Base interactions energy: -1189.711
where: short stacking energy: -506.591
Base-Backbone interact. energy: -3.142
local terms energy: -584.803008
where:
bonds (distance) C4'-P energy: -94.513
bonds (distance) P-C4' energy: -122.562
flat angles C4'-P-C4' energy: -120.819
flat angles P-C4'-P energy: -89.409
tors. eta vs tors. theta energy: -157.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1527.249602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.249602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.249602 (E_RNA)
where:
Base-Base interactions energy: -968.301
where: short stacking energy: -441.455
Base-Backbone interact. energy: -0.877
local terms energy: -558.071564
where:
bonds (distance) C4'-P energy: -122.782
bonds (distance) P-C4' energy: -125.322
flat angles C4'-P-C4' energy: -135.889
flat angles P-C4'-P energy: -86.560
tors. eta vs tors. theta energy: -87.519
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: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1320.791130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.791130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.791130 (E_RNA)
where:
Base-Base interactions energy: -852.222
where: short stacking energy: -375.506
Base-Backbone interact. energy: -0.035
local terms energy: -468.533821
where:
bonds (distance) C4'-P energy: -84.422
bonds (distance) P-C4' energy: -125.526
flat angles C4'-P-C4' energy: -126.706
flat angles P-C4'-P energy: -73.657
tors. eta vs tors. theta energy: -58.222
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: 9, replica: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1065.698220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.698220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.698220 (E_RNA)
where:
Base-Base interactions energy: -635.170
where: short stacking energy: -309.067
Base-Backbone interact. energy: 6.464
local terms energy: -436.992544
where:
bonds (distance) C4'-P energy: -92.245
bonds (distance) P-C4' energy: -114.857
flat angles C4'-P-C4' energy: -123.880
flat angles P-C4'-P energy: -67.561
tors. eta vs tors. theta energy: -38.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -860.627623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.627623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.627623 (E_RNA)
where:
Base-Base interactions energy: -493.488
where: short stacking energy: -256.385
Base-Backbone interact. energy: -0.913
local terms energy: -366.226732
where:
bonds (distance) C4'-P energy: -113.199
bonds (distance) P-C4' energy: -86.231
flat angles C4'-P-C4' energy: -92.297
flat angles P-C4'-P energy: -55.392
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2314.973430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.973430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.973430 (E_RNA)
where:
Base-Base interactions energy: -1596.777
where: short stacking energy: -669.021
Base-Backbone interact. energy: -0.578
local terms energy: -717.618220
where:
bonds (distance) C4'-P energy: -146.322
bonds (distance) P-C4' energy: -115.954
flat angles C4'-P-C4' energy: -150.827
flat angles P-C4'-P energy: -107.380
tors. eta vs tors. theta energy: -197.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2284.919652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.919652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.919652 (E_RNA)
where:
Base-Base interactions energy: -1586.303
where: short stacking energy: -691.518
Base-Backbone interact. energy: -1.477
local terms energy: -697.139625
where:
bonds (distance) C4'-P energy: -126.401
bonds (distance) P-C4' energy: -123.308
flat angles C4'-P-C4' energy: -138.761
flat angles P-C4'-P energy: -97.973
tors. eta vs tors. theta energy: -210.696
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: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2113.378153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.378153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.378153 (E_RNA)
where:
Base-Base interactions energy: -1455.141
where: short stacking energy: -623.516
Base-Backbone interact. energy: -0.475
local terms energy: -657.762067
where:
bonds (distance) C4'-P energy: -131.040
bonds (distance) P-C4' energy: -124.272
flat angles C4'-P-C4' energy: -141.167
flat angles P-C4'-P energy: -92.050
tors. eta vs tors. theta energy: -169.233
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: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2063.029593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.029593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.029593 (E_RNA)
where:
Base-Base interactions energy: -1427.764
where: short stacking energy: -606.979
Base-Backbone interact. energy: -1.678
local terms energy: -633.587578
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -135.893
flat angles C4'-P-C4' energy: -131.159
flat angles P-C4'-P energy: -72.379
tors. eta vs tors. theta energy: -167.305
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: 380
Temperature: 1.100000
Total energy: -1915.657566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.657566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.657566 (E_RNA)
where:
Base-Base interactions energy: -1303.505
where: short stacking energy: -505.617
Base-Backbone interact. energy: -2.320
local terms energy: -609.832481
where:
bonds (distance) C4'-P energy: -121.819
bonds (distance) P-C4' energy: -124.998
flat angles C4'-P-C4' energy: -138.061
flat angles P-C4'-P energy: -75.656
tors. eta vs tors. theta energy: -149.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1757.088486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.088486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.088486 (E_RNA)
where:
Base-Base interactions energy: -1177.678
where: short stacking energy: -516.548
Base-Backbone interact. energy: -1.692
local terms energy: -577.718901
where:
bonds (distance) C4'-P energy: -96.509
bonds (distance) P-C4' energy: -127.069
flat angles C4'-P-C4' energy: -131.042
flat angles P-C4'-P energy: -77.365
tors. eta vs tors. theta energy: -145.734
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: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1516.916879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.916879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.916879 (E_RNA)
where:
Base-Base interactions energy: -1007.393
where: short stacking energy: -416.717
Base-Backbone interact. energy: 0.509
local terms energy: -510.032843
where:
bonds (distance) C4'-P energy: -119.951
bonds (distance) P-C4' energy: -121.459
flat angles C4'-P-C4' energy: -117.094
flat angles P-C4'-P energy: -66.163
tors. eta vs tors. theta energy: -85.366
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: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1336.937537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.937537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.937537 (E_RNA)
where:
Base-Base interactions energy: -876.858
where: short stacking energy: -379.015
Base-Backbone interact. energy: 3.703
local terms energy: -463.782316
where:
bonds (distance) C4'-P energy: -92.162
bonds (distance) P-C4' energy: -106.865
flat angles C4'-P-C4' energy: -117.285
flat angles P-C4'-P energy: -67.146
tors. eta vs tors. theta energy: -80.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1040.676080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.676080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.676080 (E_RNA)
where:
Base-Base interactions energy: -620.096
where: short stacking energy: -298.575
Base-Backbone interact. energy: 4.824
local terms energy: -425.404622
where:
bonds (distance) C4'-P energy: -105.809
bonds (distance) P-C4' energy: -108.575
flat angles C4'-P-C4' energy: -118.470
flat angles P-C4'-P energy: -62.830
tors. eta vs tors. theta energy: -29.721
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: 380
Temperature: 1.350000
Total energy: -845.670305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.670305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.670305 (E_RNA)
where:
Base-Base interactions energy: -460.551
where: short stacking energy: -233.471
Base-Backbone interact. energy: -2.462
local terms energy: -382.657002
where:
bonds (distance) C4'-P energy: -99.083
bonds (distance) P-C4' energy: -111.387
flat angles C4'-P-C4' energy: -101.915
flat angles P-C4'-P energy: -59.363
tors. eta vs tors. theta energy: -10.909
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: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2339.899329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.899329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.899329 (E_RNA)
where:
Base-Base interactions energy: -1621.702
where: short stacking energy: -685.074
Base-Backbone interact. energy: 1.004
local terms energy: -719.202093
where:
bonds (distance) C4'-P energy: -135.072
bonds (distance) P-C4' energy: -118.558
flat angles C4'-P-C4' energy: -143.416
flat angles P-C4'-P energy: -108.693
tors. eta vs tors. theta energy: -213.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2299.694043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.694043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.694043 (E_RNA)
where:
Base-Base interactions energy: -1612.540
where: short stacking energy: -684.921
Base-Backbone interact. energy: -4.097
local terms energy: -683.056971
where:
bonds (distance) C4'-P energy: -128.359
bonds (distance) P-C4' energy: -129.474
flat angles C4'-P-C4' energy: -128.451
flat angles P-C4'-P energy: -85.977
tors. eta vs tors. theta energy: -210.796
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: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2126.802375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.802375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.802375 (E_RNA)
where:
Base-Base interactions energy: -1476.032
where: short stacking energy: -617.593
Base-Backbone interact. energy: -1.766
local terms energy: -649.003827
where:
bonds (distance) C4'-P energy: -107.585
bonds (distance) P-C4' energy: -129.228
flat angles C4'-P-C4' energy: -139.877
flat angles P-C4'-P energy: -93.534
tors. eta vs tors. theta energy: -178.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2081.956493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.956493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.956493 (E_RNA)
where:
Base-Base interactions energy: -1428.696
where: short stacking energy: -583.933
Base-Backbone interact. energy: -0.315
local terms energy: -652.945536
where:
bonds (distance) C4'-P energy: -117.525
bonds (distance) P-C4' energy: -127.308
flat angles C4'-P-C4' energy: -155.360
flat angles P-C4'-P energy: -89.033
tors. eta vs tors. theta energy: -163.721
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: 381
Temperature: 1.100000
Total energy: -1897.926698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.926698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.926698 (E_RNA)
where:
Base-Base interactions energy: -1302.340
where: short stacking energy: -566.168
Base-Backbone interact. energy: -2.529
local terms energy: -593.057509
where:
bonds (distance) C4'-P energy: -114.875
bonds (distance) P-C4' energy: -123.365
flat angles C4'-P-C4' energy: -129.254
flat angles P-C4'-P energy: -76.820
tors. eta vs tors. theta energy: -148.744
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: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1736.992004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.992004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.992004 (E_RNA)
where:
Base-Base interactions energy: -1171.334
where: short stacking energy: -517.172
Base-Backbone interact. energy: -3.076
local terms energy: -562.581772
where:
bonds (distance) C4'-P energy: -101.374
bonds (distance) P-C4' energy: -106.821
flat angles C4'-P-C4' energy: -135.267
flat angles P-C4'-P energy: -75.837
tors. eta vs tors. theta energy: -143.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1602.719118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.719118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.719118 (E_RNA)
where:
Base-Base interactions energy: -1033.471
where: short stacking energy: -452.020
Base-Backbone interact. energy: -1.486
local terms energy: -567.762677
where:
bonds (distance) C4'-P energy: -125.585
bonds (distance) P-C4' energy: -115.397
flat angles C4'-P-C4' energy: -133.167
flat angles P-C4'-P energy: -75.895
tors. eta vs tors. theta energy: -117.718
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: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1249.872104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.872104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.872104 (E_RNA)
where:
Base-Base interactions energy: -776.803
where: short stacking energy: -369.204
Base-Backbone interact. energy: 3.605
local terms energy: -476.674479
where:
bonds (distance) C4'-P energy: -104.434
bonds (distance) P-C4' energy: -114.997
flat angles C4'-P-C4' energy: -117.363
flat angles P-C4'-P energy: -52.210
tors. eta vs tors. theta energy: -87.670
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: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1042.605919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.605919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.605919 (E_RNA)
where:
Base-Base interactions energy: -624.654
where: short stacking energy: -289.442
Base-Backbone interact. energy: -2.599
local terms energy: -415.352572
where:
bonds (distance) C4'-P energy: -98.489
bonds (distance) P-C4' energy: -121.948
flat angles C4'-P-C4' energy: -99.073
flat angles P-C4'-P energy: -55.641
tors. eta vs tors. theta energy: -40.202
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: 381
Temperature: 1.350000
Total energy: -835.559411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.559411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.559411 (E_RNA)
where:
Base-Base interactions energy: -471.295
where: short stacking energy: -232.318
Base-Backbone interact. energy: -2.159
local terms energy: -362.105803
where:
bonds (distance) C4'-P energy: -105.445
bonds (distance) P-C4' energy: -94.324
flat angles C4'-P-C4' energy: -101.126
flat angles P-C4'-P energy: -57.497
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2294.286220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.286220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.286220 (E_RNA)
where:
Base-Base interactions energy: -1594.575
where: short stacking energy: -672.717
Base-Backbone interact. energy: 3.474
local terms energy: -703.185609
where:
bonds (distance) C4'-P energy: -138.541
bonds (distance) P-C4' energy: -114.420
flat angles C4'-P-C4' energy: -149.333
flat angles P-C4'-P energy: -101.269
tors. eta vs tors. theta energy: -199.622
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: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2269.816154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.816154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.816154 (E_RNA)
where:
Base-Base interactions energy: -1565.958
where: short stacking energy: -674.457
Base-Backbone interact. energy: -4.218
local terms energy: -699.640201
where:
bonds (distance) C4'-P energy: -131.028
bonds (distance) P-C4' energy: -121.356
flat angles C4'-P-C4' energy: -143.748
flat angles P-C4'-P energy: -102.214
tors. eta vs tors. theta energy: -201.295
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: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2125.355219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.355219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.355219 (E_RNA)
where:
Base-Base interactions energy: -1464.661
where: short stacking energy: -635.844
Base-Backbone interact. energy: -1.201
local terms energy: -659.493766
where:
bonds (distance) C4'-P energy: -102.450
bonds (distance) P-C4' energy: -131.372
flat angles C4'-P-C4' energy: -155.924
flat angles P-C4'-P energy: -90.389
tors. eta vs tors. theta energy: -179.359
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: 382
Temperature: 1.050000
Total energy: -2058.906117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.906117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.906117 (E_RNA)
where:
Base-Base interactions energy: -1401.429
where: short stacking energy: -582.854
Base-Backbone interact. energy: -3.181
local terms energy: -654.296056
where:
bonds (distance) C4'-P energy: -112.080
bonds (distance) P-C4' energy: -141.248
flat angles C4'-P-C4' energy: -135.103
flat angles P-C4'-P energy: -92.507
tors. eta vs tors. theta energy: -173.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1910.777972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.777972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.777972 (E_RNA)
where:
Base-Base interactions energy: -1320.222
where: short stacking energy: -569.780
Base-Backbone interact. energy: 1.642
local terms energy: -592.197800
where:
bonds (distance) C4'-P energy: -123.605
bonds (distance) P-C4' energy: -111.956
flat angles C4'-P-C4' energy: -130.107
flat angles P-C4'-P energy: -62.648
tors. eta vs tors. theta energy: -163.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1784.367117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.367117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.367117 (E_RNA)
where:
Base-Base interactions energy: -1211.350
where: short stacking energy: -527.048
Base-Backbone interact. energy: -1.527
local terms energy: -571.490501
where:
bonds (distance) C4'-P energy: -106.929
bonds (distance) P-C4' energy: -125.239
flat angles C4'-P-C4' energy: -133.290
flat angles P-C4'-P energy: -67.191
tors. eta vs tors. theta energy: -138.842
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: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1558.140883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.140883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.140883 (E_RNA)
where:
Base-Base interactions energy: -993.828
where: short stacking energy: -438.182
Base-Backbone interact. energy: -4.547
local terms energy: -559.765406
where:
bonds (distance) C4'-P energy: -112.245
bonds (distance) P-C4' energy: -119.038
flat angles C4'-P-C4' energy: -129.520
flat angles P-C4'-P energy: -85.372
tors. eta vs tors. theta energy: -113.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1308.678983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.678983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.678983 (E_RNA)
where:
Base-Base interactions energy: -825.908
where: short stacking energy: -374.119
Base-Backbone interact. energy: -0.652
local terms energy: -482.119161
where:
bonds (distance) C4'-P energy: -92.404
bonds (distance) P-C4' energy: -129.862
flat angles C4'-P-C4' energy: -116.173
flat angles P-C4'-P energy: -62.856
tors. eta vs tors. theta energy: -80.824
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: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1006.506713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.506713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.506713 (E_RNA)
where:
Base-Base interactions energy: -620.072
where: short stacking energy: -295.214
Base-Backbone interact. energy: -2.428
local terms energy: -384.006528
where:
bonds (distance) C4'-P energy: -89.001
bonds (distance) P-C4' energy: -110.663
flat angles C4'-P-C4' energy: -93.885
flat angles P-C4'-P energy: -48.646
tors. eta vs tors. theta energy: -41.811
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: 382
Temperature: 1.350000
Total energy: -837.354694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.354694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.354694 (E_RNA)
where:
Base-Base interactions energy: -480.502
where: short stacking energy: -242.838
Base-Backbone interact. energy: -3.013
local terms energy: -353.839147
where:
bonds (distance) C4'-P energy: -98.994
bonds (distance) P-C4' energy: -101.674
flat angles C4'-P-C4' energy: -101.624
flat angles P-C4'-P energy: -38.775
tors. eta vs tors. theta energy: -12.773
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: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2306.147569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.147569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.147569 (E_RNA)
where:
Base-Base interactions energy: -1583.634
where: short stacking energy: -697.171
Base-Backbone interact. energy: -1.017
local terms energy: -721.496016
where:
bonds (distance) C4'-P energy: -113.086
bonds (distance) P-C4' energy: -135.917
flat angles C4'-P-C4' energy: -157.256
flat angles P-C4'-P energy: -109.364
tors. eta vs tors. theta energy: -205.873
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: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2244.827026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.827026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.827026 (E_RNA)
where:
Base-Base interactions energy: -1539.749
where: short stacking energy: -635.173
Base-Backbone interact. energy: -1.808
local terms energy: -703.270354
where:
bonds (distance) C4'-P energy: -118.701
bonds (distance) P-C4' energy: -134.748
flat angles C4'-P-C4' energy: -150.808
flat angles P-C4'-P energy: -95.817
tors. eta vs tors. theta energy: -203.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2116.025225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.025225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.025225 (E_RNA)
where:
Base-Base interactions energy: -1445.277
where: short stacking energy: -625.408
Base-Backbone interact. energy: -1.938
local terms energy: -668.810203
where:
bonds (distance) C4'-P energy: -126.802
bonds (distance) P-C4' energy: -130.107
flat angles C4'-P-C4' energy: -140.052
flat angles P-C4'-P energy: -95.928
tors. eta vs tors. theta energy: -175.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2082.201217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.201217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.201217 (E_RNA)
where:
Base-Base interactions energy: -1457.626
where: short stacking energy: -611.423
Base-Backbone interact. energy: -2.590
local terms energy: -621.985587
where:
bonds (distance) C4'-P energy: -107.603
bonds (distance) P-C4' energy: -112.410
flat angles C4'-P-C4' energy: -135.847
flat angles P-C4'-P energy: -89.773
tors. eta vs tors. theta energy: -176.352
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: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1929.306925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.306925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.306925 (E_RNA)
where:
Base-Base interactions energy: -1332.085
where: short stacking energy: -552.916
Base-Backbone interact. energy: 1.043
local terms energy: -598.264309
where:
bonds (distance) C4'-P energy: -121.622
bonds (distance) P-C4' energy: -116.356
flat angles C4'-P-C4' energy: -122.666
flat angles P-C4'-P energy: -77.345
tors. eta vs tors. theta energy: -160.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1724.309790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.309790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.309790 (E_RNA)
where:
Base-Base interactions energy: -1174.199
where: short stacking energy: -507.547
Base-Backbone interact. energy: 1.346
local terms energy: -551.457572
where:
bonds (distance) C4'-P energy: -106.356
bonds (distance) P-C4' energy: -114.390
flat angles C4'-P-C4' energy: -112.543
flat angles P-C4'-P energy: -88.019
tors. eta vs tors. theta energy: -130.149
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: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1575.292451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.292451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.292451 (E_RNA)
where:
Base-Base interactions energy: -1051.663
where: short stacking energy: -449.086
Base-Backbone interact. energy: -0.023
local terms energy: -523.605834
where:
bonds (distance) C4'-P energy: -107.896
bonds (distance) P-C4' energy: -108.686
flat angles C4'-P-C4' energy: -117.127
flat angles P-C4'-P energy: -85.208
tors. eta vs tors. theta energy: -104.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1371.636877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.636877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.636877 (E_RNA)
where:
Base-Base interactions energy: -883.101
where: short stacking energy: -385.147
Base-Backbone interact. energy: -2.007
local terms energy: -486.528608
where:
bonds (distance) C4'-P energy: -93.166
bonds (distance) P-C4' energy: -121.418
flat angles C4'-P-C4' energy: -115.163
flat angles P-C4'-P energy: -78.439
tors. eta vs tors. theta energy: -78.342
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: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1106.624803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.624803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.624803 (E_RNA)
where:
Base-Base interactions energy: -675.573
where: short stacking energy: -329.880
Base-Backbone interact. energy: -0.481
local terms energy: -430.571481
where:
bonds (distance) C4'-P energy: -94.924
bonds (distance) P-C4' energy: -97.582
flat angles C4'-P-C4' energy: -115.779
flat angles P-C4'-P energy: -66.219
tors. eta vs tors. theta energy: -56.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -798.183755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.183755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.183755 (E_RNA)
where:
Base-Base interactions energy: -426.435
where: short stacking energy: -216.477
Base-Backbone interact. energy: 1.087
local terms energy: -372.835249
where:
bonds (distance) C4'-P energy: -108.728
bonds (distance) P-C4' energy: -108.639
flat angles C4'-P-C4' energy: -84.713
flat angles P-C4'-P energy: -59.782
tors. eta vs tors. theta energy: -10.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2330.572839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.572839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.572839 (E_RNA)
where:
Base-Base interactions energy: -1592.274
where: short stacking energy: -686.480
Base-Backbone interact. energy: -1.755
local terms energy: -736.543995
where:
bonds (distance) C4'-P energy: -136.074
bonds (distance) P-C4' energy: -137.404
flat angles C4'-P-C4' energy: -146.721
flat angles P-C4'-P energy: -118.436
tors. eta vs tors. theta energy: -197.909
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: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2224.263158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.263158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.263158 (E_RNA)
where:
Base-Base interactions energy: -1514.028
where: short stacking energy: -672.495
Base-Backbone interact. energy: -3.117
local terms energy: -707.118750
where:
bonds (distance) C4'-P energy: -129.432
bonds (distance) P-C4' energy: -127.781
flat angles C4'-P-C4' energy: -147.918
flat angles P-C4'-P energy: -98.283
tors. eta vs tors. theta energy: -203.705
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: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2159.956217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.956217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.956217 (E_RNA)
where:
Base-Base interactions energy: -1485.537
where: short stacking energy: -633.352
Base-Backbone interact. energy: -0.618
local terms energy: -673.801151
where:
bonds (distance) C4'-P energy: -113.583
bonds (distance) P-C4' energy: -128.895
flat angles C4'-P-C4' energy: -137.771
flat angles P-C4'-P energy: -111.932
tors. eta vs tors. theta energy: -181.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2056.843445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.843445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.843445 (E_RNA)
where:
Base-Base interactions energy: -1414.072
where: short stacking energy: -592.744
Base-Backbone interact. energy: 3.028
local terms energy: -645.799391
where:
bonds (distance) C4'-P energy: -123.807
bonds (distance) P-C4' energy: -122.863
flat angles C4'-P-C4' energy: -145.706
flat angles P-C4'-P energy: -87.351
tors. eta vs tors. theta energy: -166.072
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: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1863.344716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.344716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.344716 (E_RNA)
where:
Base-Base interactions energy: -1272.213
where: short stacking energy: -552.704
Base-Backbone interact. energy: -1.244
local terms energy: -589.887472
where:
bonds (distance) C4'-P energy: -111.068
bonds (distance) P-C4' energy: -104.204
flat angles C4'-P-C4' energy: -127.920
flat angles P-C4'-P energy: -85.908
tors. eta vs tors. theta energy: -160.787
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: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1790.778959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.778959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.778959 (E_RNA)
where:
Base-Base interactions energy: -1202.090
where: short stacking energy: -524.225
Base-Backbone interact. energy: -1.921
local terms energy: -586.767399
where:
bonds (distance) C4'-P energy: -108.376
bonds (distance) P-C4' energy: -128.518
flat angles C4'-P-C4' energy: -120.664
flat angles P-C4'-P energy: -77.397
tors. eta vs tors. theta energy: -151.812
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: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1555.334394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.334394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.334394 (E_RNA)
where:
Base-Base interactions energy: -1016.993
where: short stacking energy: -409.717
Base-Backbone interact. energy: -1.004
local terms energy: -537.337340
where:
bonds (distance) C4'-P energy: -124.830
bonds (distance) P-C4' energy: -122.659
flat angles C4'-P-C4' energy: -104.658
flat angles P-C4'-P energy: -71.862
tors. eta vs tors. theta energy: -113.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1314.835822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.835822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.835822 (E_RNA)
where:
Base-Base interactions energy: -842.700
where: short stacking energy: -356.353
Base-Backbone interact. energy: -0.508
local terms energy: -471.628442
where:
bonds (distance) C4'-P energy: -95.233
bonds (distance) P-C4' energy: -119.125
flat angles C4'-P-C4' energy: -99.488
flat angles P-C4'-P energy: -89.970
tors. eta vs tors. theta energy: -67.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1122.446387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.446387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.446387 (E_RNA)
where:
Base-Base interactions energy: -690.733
where: short stacking energy: -328.442
Base-Backbone interact. energy: -2.926
local terms energy: -428.787610
where:
bonds (distance) C4'-P energy: -102.318
bonds (distance) P-C4' energy: -115.941
flat angles C4'-P-C4' energy: -105.279
flat angles P-C4'-P energy: -63.078
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: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -813.009115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.009115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.009115 (E_RNA)
where:
Base-Base interactions energy: -460.836
where: short stacking energy: -252.271
Base-Backbone interact. energy: -2.592
local terms energy: -349.580860
where:
bonds (distance) C4'-P energy: -101.106
bonds (distance) P-C4' energy: -96.684
flat angles C4'-P-C4' energy: -96.135
flat angles P-C4'-P energy: -47.618
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2306.542064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.542064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.542064 (E_RNA)
where:
Base-Base interactions energy: -1590.900
where: short stacking energy: -700.778
Base-Backbone interact. energy: -2.554
local terms energy: -713.087930
where:
bonds (distance) C4'-P energy: -127.198
bonds (distance) P-C4' energy: -129.402
flat angles C4'-P-C4' energy: -150.207
flat angles P-C4'-P energy: -103.724
tors. eta vs tors. theta energy: -202.557
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: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2249.732060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.732060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.732060 (E_RNA)
where:
Base-Base interactions energy: -1541.115
where: short stacking energy: -675.077
Base-Backbone interact. energy: -1.603
local terms energy: -707.013989
where:
bonds (distance) C4'-P energy: -135.385
bonds (distance) P-C4' energy: -124.704
flat angles C4'-P-C4' energy: -143.620
flat angles P-C4'-P energy: -94.412
tors. eta vs tors. theta energy: -208.892
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: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2163.282310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.282310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.282310 (E_RNA)
where:
Base-Base interactions energy: -1491.794
where: short stacking energy: -649.117
Base-Backbone interact. energy: -2.306
local terms energy: -669.182601
where:
bonds (distance) C4'-P energy: -114.971
bonds (distance) P-C4' energy: -130.470
flat angles C4'-P-C4' energy: -140.582
flat angles P-C4'-P energy: -95.238
tors. eta vs tors. theta energy: -187.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2076.769631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.769631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.769631 (E_RNA)
where:
Base-Base interactions energy: -1429.010
where: short stacking energy: -574.111
Base-Backbone interact. energy: 3.172
local terms energy: -650.931734
where:
bonds (distance) C4'-P energy: -107.359
bonds (distance) P-C4' energy: -129.361
flat angles C4'-P-C4' energy: -150.147
flat angles P-C4'-P energy: -82.579
tors. eta vs tors. theta energy: -181.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1877.751715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.751715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.751715 (E_RNA)
where:
Base-Base interactions energy: -1293.291
where: short stacking energy: -538.892
Base-Backbone interact. energy: -3.025
local terms energy: -581.435245
where:
bonds (distance) C4'-P energy: -107.569
bonds (distance) P-C4' energy: -117.268
flat angles C4'-P-C4' energy: -126.506
flat angles P-C4'-P energy: -81.772
tors. eta vs tors. theta energy: -148.321
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: 385
Temperature: 1.150000
Total energy: -1773.419906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.419906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.419906 (E_RNA)
where:
Base-Base interactions energy: -1176.651
where: short stacking energy: -513.962
Base-Backbone interact. energy: -3.436
local terms energy: -593.332560
where:
bonds (distance) C4'-P energy: -119.077
bonds (distance) P-C4' energy: -117.065
flat angles C4'-P-C4' energy: -141.215
flat angles P-C4'-P energy: -69.813
tors. eta vs tors. theta energy: -146.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1522.808226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.808226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.808226 (E_RNA)
where:
Base-Base interactions energy: -982.106
where: short stacking energy: -449.699
Base-Backbone interact. energy: -2.109
local terms energy: -538.592964
where:
bonds (distance) C4'-P energy: -112.049
bonds (distance) P-C4' energy: -109.496
flat angles C4'-P-C4' energy: -137.425
flat angles P-C4'-P energy: -73.651
tors. eta vs tors. theta energy: -105.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1296.861152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.861152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.861152 (E_RNA)
where:
Base-Base interactions energy: -817.401
where: short stacking energy: -362.237
Base-Backbone interact. energy: 4.666
local terms energy: -484.126910
where:
bonds (distance) C4'-P energy: -109.505
bonds (distance) P-C4' energy: -136.062
flat angles C4'-P-C4' energy: -111.162
flat angles P-C4'-P energy: -64.942
tors. eta vs tors. theta energy: -62.457
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: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1048.994267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.994267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.994267 (E_RNA)
where:
Base-Base interactions energy: -647.894
where: short stacking energy: -315.526
Base-Backbone interact. energy: -1.753
local terms energy: -399.346780
where:
bonds (distance) C4'-P energy: -88.888
bonds (distance) P-C4' energy: -106.466
flat angles C4'-P-C4' energy: -91.219
flat angles P-C4'-P energy: -64.492
tors. eta vs tors. theta energy: -48.282
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: 385
Temperature: 1.350000
Total energy: -824.091929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.091929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.091929 (E_RNA)
where:
Base-Base interactions energy: -443.309
where: short stacking energy: -210.104
Base-Backbone interact. energy: 6.651
local terms energy: -387.433988
where:
bonds (distance) C4'-P energy: -116.458
bonds (distance) P-C4' energy: -105.665
flat angles C4'-P-C4' energy: -106.713
flat angles P-C4'-P energy: -55.325
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2299.186998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.186998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.186998 (E_RNA)
where:
Base-Base interactions energy: -1572.668
where: short stacking energy: -676.125
Base-Backbone interact. energy: 2.059
local terms energy: -728.577142
where:
bonds (distance) C4'-P energy: -132.600
bonds (distance) P-C4' energy: -133.932
flat angles C4'-P-C4' energy: -149.205
flat angles P-C4'-P energy: -104.995
tors. eta vs tors. theta energy: -207.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2241.303144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.303144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.303144 (E_RNA)
where:
Base-Base interactions energy: -1498.587
where: short stacking energy: -670.646
Base-Backbone interact. energy: -0.562
local terms energy: -742.154380
where:
bonds (distance) C4'-P energy: -142.951
bonds (distance) P-C4' energy: -133.482
flat angles C4'-P-C4' energy: -161.622
flat angles P-C4'-P energy: -105.369
tors. eta vs tors. theta energy: -198.730
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: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2154.241848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.241848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.241848 (E_RNA)
where:
Base-Base interactions energy: -1476.604
where: short stacking energy: -592.103
Base-Backbone interact. energy: -1.954
local terms energy: -675.684181
where:
bonds (distance) C4'-P energy: -133.661
bonds (distance) P-C4' energy: -121.428
flat angles C4'-P-C4' energy: -140.139
flat angles P-C4'-P energy: -103.568
tors. eta vs tors. theta energy: -176.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2015.786779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.786779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.786779 (E_RNA)
where:
Base-Base interactions energy: -1423.221
where: short stacking energy: -599.722
Base-Backbone interact. energy: 0.185
local terms energy: -592.750788
where:
bonds (distance) C4'-P energy: -121.507
bonds (distance) P-C4' energy: -116.676
flat angles C4'-P-C4' energy: -119.934
flat angles P-C4'-P energy: -84.205
tors. eta vs tors. theta energy: -150.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1944.279753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.279753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.279753 (E_RNA)
where:
Base-Base interactions energy: -1352.953
where: short stacking energy: -567.633
Base-Backbone interact. energy: -0.798
local terms energy: -590.528791
where:
bonds (distance) C4'-P energy: -98.898
bonds (distance) P-C4' energy: -123.694
flat angles C4'-P-C4' energy: -128.881
flat angles P-C4'-P energy: -80.601
tors. eta vs tors. theta energy: -158.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1775.549118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.549118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.549118 (E_RNA)
where:
Base-Base interactions energy: -1186.930
where: short stacking energy: -518.034
Base-Backbone interact. energy: -3.340
local terms energy: -585.279517
where:
bonds (distance) C4'-P energy: -104.084
bonds (distance) P-C4' energy: -137.455
flat angles C4'-P-C4' energy: -118.377
flat angles P-C4'-P energy: -81.686
tors. eta vs tors. theta energy: -143.678
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: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1477.461897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.461897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.461897 (E_RNA)
where:
Base-Base interactions energy: -990.113
where: short stacking energy: -430.864
Base-Backbone interact. energy: -0.804
local terms energy: -486.545123
where:
bonds (distance) C4'-P energy: -90.089
bonds (distance) P-C4' energy: -90.092
flat angles C4'-P-C4' energy: -125.684
flat angles P-C4'-P energy: -70.961
tors. eta vs tors. theta energy: -109.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1335.682436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.682436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.682436 (E_RNA)
where:
Base-Base interactions energy: -860.972
where: short stacking energy: -396.692
Base-Backbone interact. energy: -0.093
local terms energy: -474.617679
where:
bonds (distance) C4'-P energy: -93.804
bonds (distance) P-C4' energy: -111.463
flat angles C4'-P-C4' energy: -127.069
flat angles P-C4'-P energy: -67.657
tors. eta vs tors. theta energy: -74.623
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: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1096.492271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.492271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.492271 (E_RNA)
where:
Base-Base interactions energy: -684.901
where: short stacking energy: -331.841
Base-Backbone interact. energy: 1.185
local terms energy: -412.776011
where:
bonds (distance) C4'-P energy: -110.129
bonds (distance) P-C4' energy: -106.946
flat angles C4'-P-C4' energy: -78.348
flat angles P-C4'-P energy: -63.810
tors. eta vs tors. theta energy: -53.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -865.441572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.441572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.441572 (E_RNA)
where:
Base-Base interactions energy: -479.801
where: short stacking energy: -248.864
Base-Backbone interact. energy: 2.655
local terms energy: -388.296203
where:
bonds (distance) C4'-P energy: -92.878
bonds (distance) P-C4' energy: -114.531
flat angles C4'-P-C4' energy: -95.179
flat angles P-C4'-P energy: -64.927
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: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2310.193792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.193792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.193792 (E_RNA)
where:
Base-Base interactions energy: -1587.531
where: short stacking energy: -688.047
Base-Backbone interact. energy: -0.829
local terms energy: -721.833226
where:
bonds (distance) C4'-P energy: -130.627
bonds (distance) P-C4' energy: -124.535
flat angles C4'-P-C4' energy: -156.712
flat angles P-C4'-P energy: -100.548
tors. eta vs tors. theta energy: -209.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2254.153946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.153946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.153946 (E_RNA)
where:
Base-Base interactions energy: -1535.078
where: short stacking energy: -702.733
Base-Backbone interact. energy: 2.020
local terms energy: -721.096030
where:
bonds (distance) C4'-P energy: -141.204
bonds (distance) P-C4' energy: -123.870
flat angles C4'-P-C4' energy: -140.696
flat angles P-C4'-P energy: -111.390
tors. eta vs tors. theta energy: -203.937
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: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2130.619130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.619130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.619130 (E_RNA)
where:
Base-Base interactions energy: -1461.124
where: short stacking energy: -621.254
Base-Backbone interact. energy: -1.835
local terms energy: -667.660076
where:
bonds (distance) C4'-P energy: -126.197
bonds (distance) P-C4' energy: -113.997
flat angles C4'-P-C4' energy: -151.412
flat angles P-C4'-P energy: -94.215
tors. eta vs tors. theta energy: -181.838
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: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2039.081833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.081833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.081833 (E_RNA)
where:
Base-Base interactions energy: -1390.175
where: short stacking energy: -600.910
Base-Backbone interact. energy: -2.928
local terms energy: -645.978355
where:
bonds (distance) C4'-P energy: -130.424
bonds (distance) P-C4' energy: -126.225
flat angles C4'-P-C4' energy: -138.748
flat angles P-C4'-P energy: -87.789
tors. eta vs tors. theta energy: -162.792
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: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1931.079510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.079510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.079510 (E_RNA)
where:
Base-Base interactions energy: -1316.687
where: short stacking energy: -562.894
Base-Backbone interact. energy: 0.271
local terms energy: -614.662791
where:
bonds (distance) C4'-P energy: -93.769
bonds (distance) P-C4' energy: -127.575
flat angles C4'-P-C4' energy: -146.787
flat angles P-C4'-P energy: -77.081
tors. eta vs tors. theta energy: -169.452
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: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1842.749331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.749331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.749331 (E_RNA)
where:
Base-Base interactions energy: -1261.079
where: short stacking energy: -516.409
Base-Backbone interact. energy: -1.354
local terms energy: -580.316842
where:
bonds (distance) C4'-P energy: -110.249
bonds (distance) P-C4' energy: -110.231
flat angles C4'-P-C4' energy: -135.872
flat angles P-C4'-P energy: -77.656
tors. eta vs tors. theta energy: -146.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1602.229221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.229221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.229221 (E_RNA)
where:
Base-Base interactions energy: -1079.447
where: short stacking energy: -479.663
Base-Backbone interact. energy: 5.171
local terms energy: -527.952782
where:
bonds (distance) C4'-P energy: -108.317
bonds (distance) P-C4' energy: -107.799
flat angles C4'-P-C4' energy: -109.623
flat angles P-C4'-P energy: -79.072
tors. eta vs tors. theta energy: -123.142
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: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1388.286918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.286918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.286918 (E_RNA)
where:
Base-Base interactions energy: -921.579
where: short stacking energy: -408.381
Base-Backbone interact. energy: -1.673
local terms energy: -465.035418
where:
bonds (distance) C4'-P energy: -107.446
bonds (distance) P-C4' energy: -110.236
flat angles C4'-P-C4' energy: -114.217
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -73.848
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: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1106.286450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.286450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.286450 (E_RNA)
where:
Base-Base interactions energy: -672.479
where: short stacking energy: -297.947
Base-Backbone interact. energy: 0.185
local terms energy: -433.992542
where:
bonds (distance) C4'-P energy: -112.493
bonds (distance) P-C4' energy: -90.514
flat angles C4'-P-C4' energy: -118.433
flat angles P-C4'-P energy: -58.972
tors. eta vs tors. theta energy: -53.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -851.827061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.827061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.827061 (E_RNA)
where:
Base-Base interactions energy: -508.245
where: short stacking energy: -245.438
Base-Backbone interact. energy: 5.461
local terms energy: -349.042652
where:
bonds (distance) C4'-P energy: -105.260
bonds (distance) P-C4' energy: -112.793
flat angles C4'-P-C4' energy: -83.407
flat angles P-C4'-P energy: -35.059
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2332.204242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.204242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.204242 (E_RNA)
where:
Base-Base interactions energy: -1602.372
where: short stacking energy: -675.851
Base-Backbone interact. energy: -0.747
local terms energy: -729.085318
where:
bonds (distance) C4'-P energy: -137.083
bonds (distance) P-C4' energy: -128.339
flat angles C4'-P-C4' energy: -144.614
flat angles P-C4'-P energy: -125.011
tors. eta vs tors. theta energy: -194.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2247.771408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.771408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.771408 (E_RNA)
where:
Base-Base interactions energy: -1528.638
where: short stacking energy: -689.227
Base-Backbone interact. energy: 0.347
local terms energy: -719.480062
where:
bonds (distance) C4'-P energy: -118.139
bonds (distance) P-C4' energy: -140.178
flat angles C4'-P-C4' energy: -145.753
flat angles P-C4'-P energy: -103.624
tors. eta vs tors. theta energy: -211.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2161.764112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.764112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.764112 (E_RNA)
where:
Base-Base interactions energy: -1524.066
where: short stacking energy: -634.104
Base-Backbone interact. energy: -2.256
local terms energy: -635.441996
where:
bonds (distance) C4'-P energy: -115.094
bonds (distance) P-C4' energy: -117.979
flat angles C4'-P-C4' energy: -141.448
flat angles P-C4'-P energy: -95.242
tors. eta vs tors. theta energy: -165.679
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: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2045.789357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.789357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.789357 (E_RNA)
where:
Base-Base interactions energy: -1427.831
where: short stacking energy: -595.673
Base-Backbone interact. energy: -2.172
local terms energy: -615.785897
where:
bonds (distance) C4'-P energy: -112.948
bonds (distance) P-C4' energy: -118.947
flat angles C4'-P-C4' energy: -130.752
flat angles P-C4'-P energy: -91.964
tors. eta vs tors. theta energy: -161.176
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: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1930.137281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.137281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.137281 (E_RNA)
where:
Base-Base interactions energy: -1328.900
where: short stacking energy: -568.721
Base-Backbone interact. energy: -2.541
local terms energy: -598.695780
where:
bonds (distance) C4'-P energy: -115.225
bonds (distance) P-C4' energy: -115.161
flat angles C4'-P-C4' energy: -134.373
flat angles P-C4'-P energy: -79.233
tors. eta vs tors. theta energy: -154.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1808.359059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.359059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.359059 (E_RNA)
where:
Base-Base interactions energy: -1216.547
where: short stacking energy: -545.828
Base-Backbone interact. energy: -0.622
local terms energy: -591.189859
where:
bonds (distance) C4'-P energy: -116.312
bonds (distance) P-C4' energy: -120.415
flat angles C4'-P-C4' energy: -132.522
flat angles P-C4'-P energy: -66.625
tors. eta vs tors. theta energy: -155.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1593.900160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.900160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.900160 (E_RNA)
where:
Base-Base interactions energy: -1064.128
where: short stacking energy: -458.411
Base-Backbone interact. energy: 3.788
local terms energy: -533.560749
where:
bonds (distance) C4'-P energy: -105.986
bonds (distance) P-C4' energy: -110.970
flat angles C4'-P-C4' energy: -134.774
flat angles P-C4'-P energy: -69.066
tors. eta vs tors. theta energy: -112.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1345.751848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.751848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.751848 (E_RNA)
where:
Base-Base interactions energy: -845.151
where: short stacking energy: -381.496
Base-Backbone interact. energy: -1.161
local terms energy: -499.440239
where:
bonds (distance) C4'-P energy: -106.556
bonds (distance) P-C4' energy: -103.687
flat angles C4'-P-C4' energy: -128.294
flat angles P-C4'-P energy: -79.851
tors. eta vs tors. theta energy: -81.052
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: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1062.056750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.056750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.056750 (E_RNA)
where:
Base-Base interactions energy: -647.574
where: short stacking energy: -285.320
Base-Backbone interact. energy: -0.301
local terms energy: -414.181228
where:
bonds (distance) C4'-P energy: -101.347
bonds (distance) P-C4' energy: -119.186
flat angles C4'-P-C4' energy: -104.242
flat angles P-C4'-P energy: -66.168
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -835.425331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.425331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.425331 (E_RNA)
where:
Base-Base interactions energy: -441.132
where: short stacking energy: -217.430
Base-Backbone interact. energy: -0.846
local terms energy: -393.447270
where:
bonds (distance) C4'-P energy: -108.451
bonds (distance) P-C4' energy: -116.698
flat angles C4'-P-C4' energy: -98.616
flat angles P-C4'-P energy: -52.302
tors. eta vs tors. theta energy: -17.380
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: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2347.891854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.891854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.891854 (E_RNA)
where:
Base-Base interactions energy: -1600.490
where: short stacking energy: -692.248
Base-Backbone interact. energy: -2.206
local terms energy: -745.195790
where:
bonds (distance) C4'-P energy: -128.471
bonds (distance) P-C4' energy: -140.358
flat angles C4'-P-C4' energy: -154.259
flat angles P-C4'-P energy: -112.232
tors. eta vs tors. theta energy: -209.875
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: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2274.236094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.236094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.236094 (E_RNA)
where:
Base-Base interactions energy: -1543.205
where: short stacking energy: -678.878
Base-Backbone interact. energy: -2.296
local terms energy: -728.734350
where:
bonds (distance) C4'-P energy: -122.432
bonds (distance) P-C4' energy: -140.910
flat angles C4'-P-C4' energy: -156.871
flat angles P-C4'-P energy: -97.766
tors. eta vs tors. theta energy: -210.755
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: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2165.459298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.459298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.459298 (E_RNA)
where:
Base-Base interactions energy: -1492.789
where: short stacking energy: -626.065
Base-Backbone interact. energy: 1.443
local terms energy: -674.113489
where:
bonds (distance) C4'-P energy: -120.012
bonds (distance) P-C4' energy: -137.801
flat angles C4'-P-C4' energy: -140.050
flat angles P-C4'-P energy: -100.337
tors. eta vs tors. theta energy: -175.913
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: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2048.195230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.195230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.195230 (E_RNA)
where:
Base-Base interactions energy: -1426.363
where: short stacking energy: -595.754
Base-Backbone interact. energy: 1.579
local terms energy: -623.411070
where:
bonds (distance) C4'-P energy: -106.388
bonds (distance) P-C4' energy: -141.547
flat angles C4'-P-C4' energy: -118.078
flat angles P-C4'-P energy: -93.258
tors. eta vs tors. theta energy: -164.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1857.933859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.933859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.933859 (E_RNA)
where:
Base-Base interactions energy: -1238.094
where: short stacking energy: -540.903
Base-Backbone interact. energy: -1.869
local terms energy: -617.971314
where:
bonds (distance) C4'-P energy: -115.177
bonds (distance) P-C4' energy: -116.437
flat angles C4'-P-C4' energy: -141.566
flat angles P-C4'-P energy: -87.487
tors. eta vs tors. theta energy: -157.304
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: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1858.042801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.042801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.042801 (E_RNA)
where:
Base-Base interactions energy: -1255.716
where: short stacking energy: -561.422
Base-Backbone interact. energy: -1.642
local terms energy: -600.685081
where:
bonds (distance) C4'-P energy: -115.167
bonds (distance) P-C4' energy: -117.455
flat angles C4'-P-C4' energy: -119.732
flat angles P-C4'-P energy: -87.843
tors. eta vs tors. theta energy: -160.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1591.670800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.670800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.670800 (E_RNA)
where:
Base-Base interactions energy: -1092.339
where: short stacking energy: -449.213
Base-Backbone interact. energy: -1.468
local terms energy: -497.863742
where:
bonds (distance) C4'-P energy: -68.277
bonds (distance) P-C4' energy: -120.407
flat angles C4'-P-C4' energy: -126.914
flat angles P-C4'-P energy: -66.469
tors. eta vs tors. theta energy: -115.797
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: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1355.031566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.031566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.031566 (E_RNA)
where:
Base-Base interactions energy: -843.033
where: short stacking energy: -372.589
Base-Backbone interact. energy: -4.312
local terms energy: -507.686897
where:
bonds (distance) C4'-P energy: -113.939
bonds (distance) P-C4' energy: -122.820
flat angles C4'-P-C4' energy: -131.139
flat angles P-C4'-P energy: -59.325
tors. eta vs tors. theta energy: -80.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1058.223590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.223590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.223590 (E_RNA)
where:
Base-Base interactions energy: -639.779
where: short stacking energy: -301.947
Base-Backbone interact. energy: -0.970
local terms energy: -417.474669
where:
bonds (distance) C4'-P energy: -110.188
bonds (distance) P-C4' energy: -99.667
flat angles C4'-P-C4' energy: -90.757
flat angles P-C4'-P energy: -78.142
tors. eta vs tors. theta energy: -38.720
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: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -835.132878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.132878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.132878 (E_RNA)
where:
Base-Base interactions energy: -451.025
where: short stacking energy: -229.091
Base-Backbone interact. energy: 1.527
local terms energy: -385.635077
where:
bonds (distance) C4'-P energy: -120.492
bonds (distance) P-C4' energy: -108.494
flat angles C4'-P-C4' energy: -98.114
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2351.877066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.877066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.877066 (E_RNA)
where:
Base-Base interactions energy: -1614.965
where: short stacking energy: -684.852
Base-Backbone interact. energy: -3.448
local terms energy: -733.463777
where:
bonds (distance) C4'-P energy: -115.124
bonds (distance) P-C4' energy: -143.472
flat angles C4'-P-C4' energy: -160.672
flat angles P-C4'-P energy: -104.780
tors. eta vs tors. theta energy: -209.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2287.311905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.311905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.311905 (E_RNA)
where:
Base-Base interactions energy: -1552.743
where: short stacking energy: -701.579
Base-Backbone interact. energy: 2.068
local terms energy: -736.637068
where:
bonds (distance) C4'-P energy: -132.735
bonds (distance) P-C4' energy: -134.939
flat angles C4'-P-C4' energy: -158.218
flat angles P-C4'-P energy: -93.055
tors. eta vs tors. theta energy: -217.690
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: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2136.328366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.328366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.328366 (E_RNA)
where:
Base-Base interactions energy: -1476.786
where: short stacking energy: -619.967
Base-Backbone interact. energy: -1.919
local terms energy: -657.622793
where:
bonds (distance) C4'-P energy: -125.400
bonds (distance) P-C4' energy: -124.617
flat angles C4'-P-C4' energy: -129.807
flat angles P-C4'-P energy: -99.482
tors. eta vs tors. theta energy: -178.316
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: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2060.599420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.599420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.599420 (E_RNA)
where:
Base-Base interactions energy: -1439.414
where: short stacking energy: -586.419
Base-Backbone interact. energy: -0.607
local terms energy: -620.578791
where:
bonds (distance) C4'-P energy: -124.089
bonds (distance) P-C4' energy: -128.006
flat angles C4'-P-C4' energy: -131.780
flat angles P-C4'-P energy: -87.853
tors. eta vs tors. theta energy: -148.851
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: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1913.518252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.518252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.518252 (E_RNA)
where:
Base-Base interactions energy: -1275.517
where: short stacking energy: -562.061
Base-Backbone interact. energy: -3.887
local terms energy: -634.114759
where:
bonds (distance) C4'-P energy: -119.351
bonds (distance) P-C4' energy: -121.574
flat angles C4'-P-C4' energy: -128.760
flat angles P-C4'-P energy: -101.791
tors. eta vs tors. theta energy: -162.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1851.997840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.997840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.997840 (E_RNA)
where:
Base-Base interactions energy: -1245.902
where: short stacking energy: -545.778
Base-Backbone interact. energy: 0.477
local terms energy: -606.573185
where:
bonds (distance) C4'-P energy: -108.599
bonds (distance) P-C4' energy: -124.069
flat angles C4'-P-C4' energy: -132.813
flat angles P-C4'-P energy: -77.468
tors. eta vs tors. theta energy: -163.624
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: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1560.884651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.884651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.884651 (E_RNA)
where:
Base-Base interactions energy: -1034.146
where: short stacking energy: -479.505
Base-Backbone interact. energy: 0.409
local terms energy: -527.147483
where:
bonds (distance) C4'-P energy: -121.806
bonds (distance) P-C4' energy: -106.242
flat angles C4'-P-C4' energy: -109.448
flat angles P-C4'-P energy: -75.066
tors. eta vs tors. theta energy: -114.586
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: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1338.529177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.529177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.529177 (E_RNA)
where:
Base-Base interactions energy: -870.398
where: short stacking energy: -376.930
Base-Backbone interact. energy: 0.894
local terms energy: -469.025603
where:
bonds (distance) C4'-P energy: -123.266
bonds (distance) P-C4' energy: -105.378
flat angles C4'-P-C4' energy: -110.742
flat angles P-C4'-P energy: -68.527
tors. eta vs tors. theta energy: -61.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1105.311120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.311120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.311120 (E_RNA)
where:
Base-Base interactions energy: -660.816
where: short stacking energy: -311.745
Base-Backbone interact. energy: 1.202
local terms energy: -445.696832
where:
bonds (distance) C4'-P energy: -97.729
bonds (distance) P-C4' energy: -112.352
flat angles C4'-P-C4' energy: -116.856
flat angles P-C4'-P energy: -65.811
tors. eta vs tors. theta energy: -52.950
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: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -868.279836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.279836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.279836 (E_RNA)
where:
Base-Base interactions energy: -481.391
where: short stacking energy: -251.871
Base-Backbone interact. energy: -1.212
local terms energy: -385.676960
where:
bonds (distance) C4'-P energy: -82.315
bonds (distance) P-C4' energy: -119.064
flat angles C4'-P-C4' energy: -83.054
flat angles P-C4'-P energy: -67.634
tors. eta vs tors. theta energy: -33.610
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: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2327.913986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.913986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.913986 (E_RNA)
where:
Base-Base interactions energy: -1611.554
where: short stacking energy: -698.687
Base-Backbone interact. energy: -1.114
local terms energy: -715.245740
where:
bonds (distance) C4'-P energy: -125.960
bonds (distance) P-C4' energy: -138.551
flat angles C4'-P-C4' energy: -142.002
flat angles P-C4'-P energy: -106.881
tors. eta vs tors. theta energy: -201.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2286.943375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.943375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.943375 (E_RNA)
where:
Base-Base interactions energy: -1583.919
where: short stacking energy: -687.126
Base-Backbone interact. energy: -0.295
local terms energy: -702.729731
where:
bonds (distance) C4'-P energy: -117.780
bonds (distance) P-C4' energy: -127.347
flat angles C4'-P-C4' energy: -145.890
flat angles P-C4'-P energy: -101.835
tors. eta vs tors. theta energy: -209.877
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: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2141.831737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.831737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.831737 (E_RNA)
where:
Base-Base interactions energy: -1483.416
where: short stacking energy: -621.738
Base-Backbone interact. energy: -2.337
local terms energy: -656.078541
where:
bonds (distance) C4'-P energy: -134.739
bonds (distance) P-C4' energy: -122.691
flat angles C4'-P-C4' energy: -146.614
flat angles P-C4'-P energy: -79.489
tors. eta vs tors. theta energy: -172.546
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: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2049.080257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.080257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.080257 (E_RNA)
where:
Base-Base interactions energy: -1416.224
where: short stacking energy: -587.856
Base-Backbone interact. energy: -4.298
local terms energy: -628.558287
where:
bonds (distance) C4'-P energy: -124.292
bonds (distance) P-C4' energy: -99.983
flat angles C4'-P-C4' energy: -145.315
flat angles P-C4'-P energy: -98.934
tors. eta vs tors. theta energy: -160.034
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: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1894.298009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.298009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.298009 (E_RNA)
where:
Base-Base interactions energy: -1269.010
where: short stacking energy: -528.505
Base-Backbone interact. energy: -3.161
local terms energy: -622.126905
where:
bonds (distance) C4'-P energy: -104.472
bonds (distance) P-C4' energy: -132.447
flat angles C4'-P-C4' energy: -141.703
flat angles P-C4'-P energy: -84.012
tors. eta vs tors. theta energy: -159.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1800.817545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.817545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.817545 (E_RNA)
where:
Base-Base interactions energy: -1176.984
where: short stacking energy: -497.511
Base-Backbone interact. energy: 0.204
local terms energy: -624.037825
where:
bonds (distance) C4'-P energy: -113.392
bonds (distance) P-C4' energy: -137.807
flat angles C4'-P-C4' energy: -134.308
flat angles P-C4'-P energy: -91.522
tors. eta vs tors. theta energy: -147.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1568.572162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.572162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.572162 (E_RNA)
where:
Base-Base interactions energy: -997.873
where: short stacking energy: -451.990
Base-Backbone interact. energy: -1.314
local terms energy: -569.384707
where:
bonds (distance) C4'-P energy: -120.577
bonds (distance) P-C4' energy: -111.788
flat angles C4'-P-C4' energy: -139.971
flat angles P-C4'-P energy: -83.804
tors. eta vs tors. theta energy: -113.245
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: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1332.352294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.352294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.352294 (E_RNA)
where:
Base-Base interactions energy: -866.592
where: short stacking energy: -387.848
Base-Backbone interact. energy: -1.202
local terms energy: -464.558342
where:
bonds (distance) C4'-P energy: -109.954
bonds (distance) P-C4' energy: -94.581
flat angles C4'-P-C4' energy: -107.248
flat angles P-C4'-P energy: -77.640
tors. eta vs tors. theta energy: -75.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1062.974134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.974134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.974134 (E_RNA)
where:
Base-Base interactions energy: -648.248
where: short stacking energy: -288.048
Base-Backbone interact. energy: -0.370
local terms energy: -414.356707
where:
bonds (distance) C4'-P energy: -103.293
bonds (distance) P-C4' energy: -106.689
flat angles C4'-P-C4' energy: -109.219
flat angles P-C4'-P energy: -55.291
tors. eta vs tors. theta energy: -39.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -854.932444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.932444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.932444 (E_RNA)
where:
Base-Base interactions energy: -490.810
where: short stacking energy: -257.999
Base-Backbone interact. energy: 8.139
local terms energy: -372.261143
where:
bonds (distance) C4'-P energy: -109.384
bonds (distance) P-C4' energy: -102.713
flat angles C4'-P-C4' energy: -95.967
flat angles P-C4'-P energy: -56.485
tors. eta vs tors. theta energy: -7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2290.275825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.275825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.275825 (E_RNA)
where:
Base-Base interactions energy: -1544.804
where: short stacking energy: -686.508
Base-Backbone interact. energy: -4.579
local terms energy: -740.892872
where:
bonds (distance) C4'-P energy: -140.635
bonds (distance) P-C4' energy: -143.647
flat angles C4'-P-C4' energy: -152.775
flat angles P-C4'-P energy: -88.627
tors. eta vs tors. theta energy: -215.209
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: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2269.554285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.554285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.554285 (E_RNA)
where:
Base-Base interactions energy: -1576.213
where: short stacking energy: -675.435
Base-Backbone interact. energy: -2.487
local terms energy: -690.855079
where:
bonds (distance) C4'-P energy: -121.897
bonds (distance) P-C4' energy: -128.399
flat angles C4'-P-C4' energy: -145.744
flat angles P-C4'-P energy: -88.408
tors. eta vs tors. theta energy: -206.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2163.512144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.512144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.512144 (E_RNA)
where:
Base-Base interactions energy: -1506.099
where: short stacking energy: -644.697
Base-Backbone interact. energy: -1.723
local terms energy: -655.689921
where:
bonds (distance) C4'-P energy: -116.934
bonds (distance) P-C4' energy: -117.446
flat angles C4'-P-C4' energy: -148.360
flat angles P-C4'-P energy: -84.733
tors. eta vs tors. theta energy: -188.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2044.172605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.172605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.172605 (E_RNA)
where:
Base-Base interactions energy: -1401.729
where: short stacking energy: -582.580
Base-Backbone interact. energy: -3.549
local terms energy: -638.894052
where:
bonds (distance) C4'-P energy: -126.139
bonds (distance) P-C4' energy: -118.198
flat angles C4'-P-C4' energy: -148.568
flat angles P-C4'-P energy: -83.588
tors. eta vs tors. theta energy: -162.401
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: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1941.948592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.948592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.948592 (E_RNA)
where:
Base-Base interactions energy: -1329.014
where: short stacking energy: -578.716
Base-Backbone interact. energy: -3.004
local terms energy: -609.930355
where:
bonds (distance) C4'-P energy: -95.457
bonds (distance) P-C4' energy: -116.613
flat angles C4'-P-C4' energy: -131.603
flat angles P-C4'-P energy: -98.026
tors. eta vs tors. theta energy: -168.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1794.128068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.128068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.128068 (E_RNA)
where:
Base-Base interactions energy: -1215.449
where: short stacking energy: -541.029
Base-Backbone interact. energy: 2.133
local terms energy: -580.812293
where:
bonds (distance) C4'-P energy: -117.513
bonds (distance) P-C4' energy: -118.747
flat angles C4'-P-C4' energy: -125.474
flat angles P-C4'-P energy: -69.684
tors. eta vs tors. theta energy: -149.393
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: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1606.790743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.790743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.790743 (E_RNA)
where:
Base-Base interactions energy: -1039.629
where: short stacking energy: -477.752
Base-Backbone interact. energy: -3.079
local terms energy: -564.082560
where:
bonds (distance) C4'-P energy: -92.056
bonds (distance) P-C4' energy: -132.973
flat angles C4'-P-C4' energy: -125.874
flat angles P-C4'-P energy: -79.364
tors. eta vs tors. theta energy: -133.815
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: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1361.903875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.903875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.903875 (E_RNA)
where:
Base-Base interactions energy: -860.109
where: short stacking energy: -393.757
Base-Backbone interact. energy: -2.550
local terms energy: -499.244937
where:
bonds (distance) C4'-P energy: -124.886
bonds (distance) P-C4' energy: -112.499
flat angles C4'-P-C4' energy: -121.274
flat angles P-C4'-P energy: -61.434
tors. eta vs tors. theta energy: -79.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1051.243165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.243165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.243165 (E_RNA)
where:
Base-Base interactions energy: -646.941
where: short stacking energy: -321.507
Base-Backbone interact. energy: 0.275
local terms energy: -404.577170
where:
bonds (distance) C4'-P energy: -93.204
bonds (distance) P-C4' energy: -103.370
flat angles C4'-P-C4' energy: -89.256
flat angles P-C4'-P energy: -84.673
tors. eta vs tors. theta energy: -34.074
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: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -863.699975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.699975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.699975 (E_RNA)
where:
Base-Base interactions energy: -489.952
where: short stacking energy: -241.902
Base-Backbone interact. energy: 4.545
local terms energy: -378.292869
where:
bonds (distance) C4'-P energy: -79.151
bonds (distance) P-C4' energy: -109.365
flat angles C4'-P-C4' energy: -101.215
flat angles P-C4'-P energy: -68.011
tors. eta vs tors. theta energy: -20.551
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: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2307.958363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.958363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.958363 (E_RNA)
where:
Base-Base interactions energy: -1581.175
where: short stacking energy: -683.751
Base-Backbone interact. energy: -3.731
local terms energy: -723.052701
where:
bonds (distance) C4'-P energy: -129.449
bonds (distance) P-C4' energy: -135.012
flat angles C4'-P-C4' energy: -152.880
flat angles P-C4'-P energy: -95.779
tors. eta vs tors. theta energy: -209.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2274.104660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.104660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.104660 (E_RNA)
where:
Base-Base interactions energy: -1584.171
where: short stacking energy: -672.219
Base-Backbone interact. energy: 0.476
local terms energy: -690.409990
where:
bonds (distance) C4'-P energy: -121.519
bonds (distance) P-C4' energy: -127.287
flat angles C4'-P-C4' energy: -147.451
flat angles P-C4'-P energy: -99.202
tors. eta vs tors. theta energy: -194.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2152.675228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.675228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.675228 (E_RNA)
where:
Base-Base interactions energy: -1468.573
where: short stacking energy: -637.435
Base-Backbone interact. energy: -4.872
local terms energy: -679.230032
where:
bonds (distance) C4'-P energy: -129.274
bonds (distance) P-C4' energy: -124.109
flat angles C4'-P-C4' energy: -146.584
flat angles P-C4'-P energy: -101.635
tors. eta vs tors. theta energy: -177.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2048.547081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.547081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.547081 (E_RNA)
where:
Base-Base interactions energy: -1398.780
where: short stacking energy: -595.845
Base-Backbone interact. energy: -1.979
local terms energy: -647.788098
where:
bonds (distance) C4'-P energy: -116.598
bonds (distance) P-C4' energy: -115.179
flat angles C4'-P-C4' energy: -146.865
flat angles P-C4'-P energy: -103.039
tors. eta vs tors. theta energy: -166.106
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: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1954.850594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.850594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.850594 (E_RNA)
where:
Base-Base interactions energy: -1329.427
where: short stacking energy: -577.456
Base-Backbone interact. energy: -0.181
local terms energy: -625.242876
where:
bonds (distance) C4'-P energy: -121.228
bonds (distance) P-C4' energy: -128.422
flat angles C4'-P-C4' energy: -138.344
flat angles P-C4'-P energy: -73.201
tors. eta vs tors. theta energy: -164.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1834.277559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.277559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.277559 (E_RNA)
where:
Base-Base interactions energy: -1269.304
where: short stacking energy: -523.947
Base-Backbone interact. energy: 0.200
local terms energy: -565.173554
where:
bonds (distance) C4'-P energy: -99.847
bonds (distance) P-C4' energy: -107.853
flat angles C4'-P-C4' energy: -139.510
flat angles P-C4'-P energy: -80.133
tors. eta vs tors. theta energy: -137.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1555.190459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.190459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.190459 (E_RNA)
where:
Base-Base interactions energy: -1033.842
where: short stacking energy: -438.481
Base-Backbone interact. energy: -2.141
local terms energy: -519.207804
where:
bonds (distance) C4'-P energy: -109.414
bonds (distance) P-C4' energy: -96.763
flat angles C4'-P-C4' energy: -125.949
flat angles P-C4'-P energy: -67.433
tors. eta vs tors. theta energy: -119.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1307.912951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.912951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.912951 (E_RNA)
where:
Base-Base interactions energy: -811.446
where: short stacking energy: -376.923
Base-Backbone interact. energy: 0.598
local terms energy: -497.065397
where:
bonds (distance) C4'-P energy: -89.965
bonds (distance) P-C4' energy: -121.640
flat angles C4'-P-C4' energy: -127.007
flat angles P-C4'-P energy: -77.970
tors. eta vs tors. theta energy: -80.483
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: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1049.368074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.368074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.368074 (E_RNA)
where:
Base-Base interactions energy: -596.532
where: short stacking energy: -273.997
Base-Backbone interact. energy: 0.024
local terms energy: -452.860146
where:
bonds (distance) C4'-P energy: -109.012
bonds (distance) P-C4' energy: -116.332
flat angles C4'-P-C4' energy: -105.792
flat angles P-C4'-P energy: -72.178
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: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -885.079161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.079161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.079161 (E_RNA)
where:
Base-Base interactions energy: -483.773
where: short stacking energy: -249.965
Base-Backbone interact. energy: -2.058
local terms energy: -399.248262
where:
bonds (distance) C4'-P energy: -101.219
bonds (distance) P-C4' energy: -108.622
flat angles C4'-P-C4' energy: -111.914
flat angles P-C4'-P energy: -56.323
tors. eta vs tors. theta energy: -21.171
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: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2303.241027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.241027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.241027 (E_RNA)
where:
Base-Base interactions energy: -1570.641
where: short stacking energy: -714.642
Base-Backbone interact. energy: -1.276
local terms energy: -731.323534
where:
bonds (distance) C4'-P energy: -127.277
bonds (distance) P-C4' energy: -127.685
flat angles C4'-P-C4' energy: -157.976
flat angles P-C4'-P energy: -93.850
tors. eta vs tors. theta energy: -224.535
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: 9
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2291.478645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.478645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.478645 (E_RNA)
where:
Base-Base interactions energy: -1597.929
where: short stacking energy: -664.641
Base-Backbone interact. energy: 4.000
local terms energy: -697.549092
where:
bonds (distance) C4'-P energy: -128.191
bonds (distance) P-C4' energy: -125.651
flat angles C4'-P-C4' energy: -143.820
flat angles P-C4'-P energy: -100.037
tors. eta vs tors. theta energy: -199.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2195.607610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.607610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.607610 (E_RNA)
where:
Base-Base interactions energy: -1498.805
where: short stacking energy: -639.410
Base-Backbone interact. energy: -3.533
local terms energy: -693.269585
where:
bonds (distance) C4'-P energy: -139.720
bonds (distance) P-C4' energy: -113.056
flat angles C4'-P-C4' energy: -156.467
flat angles P-C4'-P energy: -92.919
tors. eta vs tors. theta energy: -191.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2033.530375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.530375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.530375 (E_RNA)
where:
Base-Base interactions energy: -1421.340
where: short stacking energy: -595.355
Base-Backbone interact. energy: 1.437
local terms energy: -613.627188
where:
bonds (distance) C4'-P energy: -121.262
bonds (distance) P-C4' energy: -116.403
flat angles C4'-P-C4' energy: -139.189
flat angles P-C4'-P energy: -84.154
tors. eta vs tors. theta energy: -152.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1881.657638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.657638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.657638 (E_RNA)
where:
Base-Base interactions energy: -1280.548
where: short stacking energy: -558.657
Base-Backbone interact. energy: -1.650
local terms energy: -599.458790
where:
bonds (distance) C4'-P energy: -105.035
bonds (distance) P-C4' energy: -114.666
flat angles C4'-P-C4' energy: -146.264
flat angles P-C4'-P energy: -79.743
tors. eta vs tors. theta energy: -153.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1799.313012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.313012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.313012 (E_RNA)
where:
Base-Base interactions energy: -1199.834
where: short stacking energy: -501.593
Base-Backbone interact. energy: 0.607
local terms energy: -600.085787
where:
bonds (distance) C4'-P energy: -111.314
bonds (distance) P-C4' energy: -130.214
flat angles C4'-P-C4' energy: -137.559
flat angles P-C4'-P energy: -81.184
tors. eta vs tors. theta energy: -139.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1578.566326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.566326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.566326 (E_RNA)
where:
Base-Base interactions energy: -1056.529
where: short stacking energy: -466.340
Base-Backbone interact. energy: -2.981
local terms energy: -519.056743
where:
bonds (distance) C4'-P energy: -108.957
bonds (distance) P-C4' energy: -119.154
flat angles C4'-P-C4' energy: -114.679
flat angles P-C4'-P energy: -55.621
tors. eta vs tors. theta energy: -120.646
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: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1313.582482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.582482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.582482 (E_RNA)
where:
Base-Base interactions energy: -839.253
where: short stacking energy: -387.016
Base-Backbone interact. energy: 4.208
local terms energy: -478.538039
where:
bonds (distance) C4'-P energy: -110.166
bonds (distance) P-C4' energy: -116.390
flat angles C4'-P-C4' energy: -100.752
flat angles P-C4'-P energy: -71.259
tors. eta vs tors. theta energy: -79.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1027.283882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.283882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.283882 (E_RNA)
where:
Base-Base interactions energy: -610.673
where: short stacking energy: -286.177
Base-Backbone interact. energy: -1.505
local terms energy: -415.106688
where:
bonds (distance) C4'-P energy: -103.493
bonds (distance) P-C4' energy: -105.524
flat angles C4'-P-C4' energy: -101.334
flat angles P-C4'-P energy: -70.642
tors. eta vs tors. theta energy: -34.115
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: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -837.288799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.288799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.288799 (E_RNA)
where:
Base-Base interactions energy: -454.022
where: short stacking energy: -230.632
Base-Backbone interact. energy: 0.463
local terms energy: -383.729633
where:
bonds (distance) C4'-P energy: -117.505
bonds (distance) P-C4' energy: -113.223
flat angles C4'-P-C4' energy: -90.612
flat angles P-C4'-P energy: -55.004
tors. eta vs tors. theta energy: -7.385
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: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2302.507824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.507824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.507824 (E_RNA)
where:
Base-Base interactions energy: -1568.738
where: short stacking energy: -709.223
Base-Backbone interact. energy: -4.077
local terms energy: -729.692981
where:
bonds (distance) C4'-P energy: -136.422
bonds (distance) P-C4' energy: -124.479
flat angles C4'-P-C4' energy: -164.032
flat angles P-C4'-P energy: -98.691
tors. eta vs tors. theta energy: -206.069
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: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2298.697140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.697140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.697140 (E_RNA)
where:
Base-Base interactions energy: -1590.771
where: short stacking energy: -679.305
Base-Backbone interact. energy: 0.048
local terms energy: -707.974839
where:
bonds (distance) C4'-P energy: -121.948
bonds (distance) P-C4' energy: -117.703
flat angles C4'-P-C4' energy: -149.936
flat angles P-C4'-P energy: -114.774
tors. eta vs tors. theta energy: -203.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2159.247232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.247232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.247232 (E_RNA)
where:
Base-Base interactions energy: -1467.974
where: short stacking energy: -629.310
Base-Backbone interact. energy: -3.823
local terms energy: -687.450134
where:
bonds (distance) C4'-P energy: -126.131
bonds (distance) P-C4' energy: -130.581
flat angles C4'-P-C4' energy: -149.052
flat angles P-C4'-P energy: -100.251
tors. eta vs tors. theta energy: -181.435
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: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2021.872323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.872323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.872323 (E_RNA)
where:
Base-Base interactions energy: -1389.392
where: short stacking energy: -588.218
Base-Backbone interact. energy: -4.168
local terms energy: -628.312620
where:
bonds (distance) C4'-P energy: -126.152
bonds (distance) P-C4' energy: -125.820
flat angles C4'-P-C4' energy: -135.246
flat angles P-C4'-P energy: -73.938
tors. eta vs tors. theta energy: -167.156
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: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1889.513290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.513290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.513290 (E_RNA)
where:
Base-Base interactions energy: -1280.939
where: short stacking energy: -557.897
Base-Backbone interact. energy: -2.751
local terms energy: -605.823990
where:
bonds (distance) C4'-P energy: -103.815
bonds (distance) P-C4' energy: -128.379
flat angles C4'-P-C4' energy: -135.925
flat angles P-C4'-P energy: -74.293
tors. eta vs tors. theta energy: -163.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1782.878237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.878237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.878237 (E_RNA)
where:
Base-Base interactions energy: -1220.997
where: short stacking energy: -527.421
Base-Backbone interact. energy: 0.742
local terms energy: -562.623040
where:
bonds (distance) C4'-P energy: -107.544
bonds (distance) P-C4' energy: -122.024
flat angles C4'-P-C4' energy: -120.518
flat angles P-C4'-P energy: -69.699
tors. eta vs tors. theta energy: -142.838
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: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1598.266132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.266132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.266132 (E_RNA)
where:
Base-Base interactions energy: -1027.727
where: short stacking energy: -467.436
Base-Backbone interact. energy: 1.354
local terms energy: -571.893374
where:
bonds (distance) C4'-P energy: -111.159
bonds (distance) P-C4' energy: -127.177
flat angles C4'-P-C4' energy: -129.503
flat angles P-C4'-P energy: -73.577
tors. eta vs tors. theta energy: -130.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1207.243136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.243136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.243136 (E_RNA)
where:
Base-Base interactions energy: -756.913
where: short stacking energy: -364.926
Base-Backbone interact. energy: -0.807
local terms energy: -449.522693
where:
bonds (distance) C4'-P energy: -108.009
bonds (distance) P-C4' energy: -115.123
flat angles C4'-P-C4' energy: -95.627
flat angles P-C4'-P energy: -80.566
tors. eta vs tors. theta energy: -50.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1094.255250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.255250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.255250 (E_RNA)
where:
Base-Base interactions energy: -665.369
where: short stacking energy: -315.171
Base-Backbone interact. energy: 1.374
local terms energy: -430.260982
where:
bonds (distance) C4'-P energy: -97.611
bonds (distance) P-C4' energy: -113.480
flat angles C4'-P-C4' energy: -92.446
flat angles P-C4'-P energy: -74.806
tors. eta vs tors. theta energy: -51.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -961.039591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.039591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.039591 (E_RNA)
where:
Base-Base interactions energy: -565.608
where: short stacking energy: -276.801
Base-Backbone interact. energy: 6.630
local terms energy: -402.061584
where:
bonds (distance) C4'-P energy: -106.627
bonds (distance) P-C4' energy: -108.476
flat angles C4'-P-C4' energy: -99.578
flat angles P-C4'-P energy: -53.961
tors. eta vs tors. theta energy: -33.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2342.332559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.332559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.332559 (E_RNA)
where:
Base-Base interactions energy: -1588.222
where: short stacking energy: -710.389
Base-Backbone interact. energy: -4.666
local terms energy: -749.443875
where:
bonds (distance) C4'-P energy: -141.112
bonds (distance) P-C4' energy: -131.634
flat angles C4'-P-C4' energy: -154.361
flat angles P-C4'-P energy: -109.767
tors. eta vs tors. theta energy: -212.570
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: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2277.000029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.000029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.000029 (E_RNA)
where:
Base-Base interactions energy: -1563.337
where: short stacking energy: -658.859
Base-Backbone interact. energy: -2.863
local terms energy: -710.800609
where:
bonds (distance) C4'-P energy: -143.464
bonds (distance) P-C4' energy: -122.353
flat angles C4'-P-C4' energy: -148.400
flat angles P-C4'-P energy: -108.131
tors. eta vs tors. theta energy: -188.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2123.217508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.217508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.217508 (E_RNA)
where:
Base-Base interactions energy: -1449.021
where: short stacking energy: -626.093
Base-Backbone interact. energy: -1.843
local terms energy: -672.353762
where:
bonds (distance) C4'-P energy: -129.914
bonds (distance) P-C4' energy: -121.765
flat angles C4'-P-C4' energy: -142.484
flat angles P-C4'-P energy: -96.110
tors. eta vs tors. theta energy: -182.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2074.644068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.644068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.644068 (E_RNA)
where:
Base-Base interactions energy: -1425.778
where: short stacking energy: -597.297
Base-Backbone interact. energy: -1.295
local terms energy: -647.571724
where:
bonds (distance) C4'-P energy: -132.003
bonds (distance) P-C4' energy: -118.132
flat angles C4'-P-C4' energy: -134.550
flat angles P-C4'-P energy: -86.398
tors. eta vs tors. theta energy: -176.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1897.515143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.515143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.515143 (E_RNA)
where:
Base-Base interactions energy: -1280.105
where: short stacking energy: -557.826
Base-Backbone interact. energy: 5.378
local terms energy: -622.788764
where:
bonds (distance) C4'-P energy: -127.457
bonds (distance) P-C4' energy: -111.310
flat angles C4'-P-C4' energy: -127.986
flat angles P-C4'-P energy: -93.743
tors. eta vs tors. theta energy: -162.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1747.843790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.843790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.843790 (E_RNA)
where:
Base-Base interactions energy: -1195.459
where: short stacking energy: -503.896
Base-Backbone interact. energy: -1.769
local terms energy: -550.615888
where:
bonds (distance) C4'-P energy: -110.668
bonds (distance) P-C4' energy: -115.643
flat angles C4'-P-C4' energy: -116.517
flat angles P-C4'-P energy: -78.886
tors. eta vs tors. theta energy: -128.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1590.520922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.520922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.520922 (E_RNA)
where:
Base-Base interactions energy: -1042.178
where: short stacking energy: -458.055
Base-Backbone interact. energy: -2.350
local terms energy: -545.993325
where:
bonds (distance) C4'-P energy: -103.473
bonds (distance) P-C4' energy: -129.329
flat angles C4'-P-C4' energy: -135.751
flat angles P-C4'-P energy: -59.146
tors. eta vs tors. theta energy: -118.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1228.309315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.309315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.309315 (E_RNA)
where:
Base-Base interactions energy: -780.883
where: short stacking energy: -350.007
Base-Backbone interact. energy: 0.620
local terms energy: -448.046189
where:
bonds (distance) C4'-P energy: -100.018
bonds (distance) P-C4' energy: -113.090
flat angles C4'-P-C4' energy: -109.634
flat angles P-C4'-P energy: -55.195
tors. eta vs tors. theta energy: -70.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1031.170197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.170197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.170197 (E_RNA)
where:
Base-Base interactions energy: -598.611
where: short stacking energy: -288.128
Base-Backbone interact. energy: -2.407
local terms energy: -430.151921
where:
bonds (distance) C4'-P energy: -101.879
bonds (distance) P-C4' energy: -116.006
flat angles C4'-P-C4' energy: -114.931
flat angles P-C4'-P energy: -69.022
tors. eta vs tors. theta energy: -28.314
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: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1002.897621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.897621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.897621 (E_RNA)
where:
Base-Base interactions energy: -592.468
where: short stacking energy: -257.456
Base-Backbone interact. energy: 2.326
local terms energy: -412.755323
where:
bonds (distance) C4'-P energy: -113.324
bonds (distance) P-C4' energy: -101.474
flat angles C4'-P-C4' energy: -101.561
flat angles P-C4'-P energy: -77.186
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2327.618301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.618301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.618301 (E_RNA)
where:
Base-Base interactions energy: -1583.615
where: short stacking energy: -700.151
Base-Backbone interact. energy: -2.338
local terms energy: -741.665825
where:
bonds (distance) C4'-P energy: -140.234
bonds (distance) P-C4' energy: -138.141
flat angles C4'-P-C4' energy: -151.708
flat angles P-C4'-P energy: -92.175
tors. eta vs tors. theta energy: -219.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2248.639997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.639997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.639997 (E_RNA)
where:
Base-Base interactions energy: -1569.604
where: short stacking energy: -658.772
Base-Backbone interact. energy: -0.813
local terms energy: -678.222785
where:
bonds (distance) C4'-P energy: -129.152
bonds (distance) P-C4' energy: -121.681
flat angles C4'-P-C4' energy: -140.421
flat angles P-C4'-P energy: -91.918
tors. eta vs tors. theta energy: -195.051
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: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2144.151371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.151371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.151371 (E_RNA)
where:
Base-Base interactions energy: -1475.903
where: short stacking energy: -642.832
Base-Backbone interact. energy: -2.314
local terms energy: -665.934182
where:
bonds (distance) C4'-P energy: -130.418
bonds (distance) P-C4' energy: -130.552
flat angles C4'-P-C4' energy: -143.119
flat angles P-C4'-P energy: -92.633
tors. eta vs tors. theta energy: -169.211
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: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2035.603513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.603513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.603513 (E_RNA)
where:
Base-Base interactions energy: -1415.914
where: short stacking energy: -572.888
Base-Backbone interact. energy: -3.699
local terms energy: -615.990574
where:
bonds (distance) C4'-P energy: -116.866
bonds (distance) P-C4' energy: -125.373
flat angles C4'-P-C4' energy: -135.577
flat angles P-C4'-P energy: -90.968
tors. eta vs tors. theta energy: -147.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1883.996412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.996412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.996412 (E_RNA)
where:
Base-Base interactions energy: -1278.372
where: short stacking energy: -581.533
Base-Backbone interact. energy: 0.752
local terms energy: -606.376103
where:
bonds (distance) C4'-P energy: -109.773
bonds (distance) P-C4' energy: -122.306
flat angles C4'-P-C4' energy: -137.674
flat angles P-C4'-P energy: -75.812
tors. eta vs tors. theta energy: -160.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1804.091651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.091651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.091651 (E_RNA)
where:
Base-Base interactions energy: -1243.961
where: short stacking energy: -520.340
Base-Backbone interact. energy: -3.827
local terms energy: -556.303483
where:
bonds (distance) C4'-P energy: -105.192
bonds (distance) P-C4' energy: -115.568
flat angles C4'-P-C4' energy: -120.148
flat angles P-C4'-P energy: -80.237
tors. eta vs tors. theta energy: -135.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1649.910916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.910916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.910916 (E_RNA)
where:
Base-Base interactions energy: -1117.356
where: short stacking energy: -500.235
Base-Backbone interact. energy: 2.930
local terms energy: -535.484743
where:
bonds (distance) C4'-P energy: -96.880
bonds (distance) P-C4' energy: -103.988
flat angles C4'-P-C4' energy: -128.756
flat angles P-C4'-P energy: -85.795
tors. eta vs tors. theta energy: -120.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1303.084881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.084881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.084881 (E_RNA)
where:
Base-Base interactions energy: -833.279
where: short stacking energy: -359.843
Base-Backbone interact. energy: -0.078
local terms energy: -469.727858
where:
bonds (distance) C4'-P energy: -116.494
bonds (distance) P-C4' energy: -109.077
flat angles C4'-P-C4' energy: -98.274
flat angles P-C4'-P energy: -64.426
tors. eta vs tors. theta energy: -81.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1054.771079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.771079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.771079 (E_RNA)
where:
Base-Base interactions energy: -609.238
where: short stacking energy: -316.139
Base-Backbone interact. energy: 9.693
local terms energy: -455.225988
where:
bonds (distance) C4'-P energy: -113.880
bonds (distance) P-C4' energy: -125.891
flat angles C4'-P-C4' energy: -105.597
flat angles P-C4'-P energy: -67.630
tors. eta vs tors. theta energy: -42.228
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: 397
Temperature: 1.350000
Total energy: -1005.907030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.907030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.907030 (E_RNA)
where:
Base-Base interactions energy: -564.733
where: short stacking energy: -274.934
Base-Backbone interact. energy: 0.311
local terms energy: -441.485063
where:
bonds (distance) C4'-P energy: -110.329
bonds (distance) P-C4' energy: -107.659
flat angles C4'-P-C4' energy: -113.093
flat angles P-C4'-P energy: -65.830
tors. eta vs tors. theta energy: -44.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2322.794779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.794779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.794779 (E_RNA)
where:
Base-Base interactions energy: -1568.712
where: short stacking energy: -695.497
Base-Backbone interact. energy: -0.750
local terms energy: -753.333102
where:
bonds (distance) C4'-P energy: -135.381
bonds (distance) P-C4' energy: -139.216
flat angles C4'-P-C4' energy: -152.817
flat angles P-C4'-P energy: -108.657
tors. eta vs tors. theta energy: -217.263
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: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2220.288660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.288660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.288660 (E_RNA)
where:
Base-Base interactions energy: -1522.730
where: short stacking energy: -644.370
Base-Backbone interact. energy: 1.770
local terms energy: -699.328743
where:
bonds (distance) C4'-P energy: -127.063
bonds (distance) P-C4' energy: -121.946
flat angles C4'-P-C4' energy: -148.981
flat angles P-C4'-P energy: -100.788
tors. eta vs tors. theta energy: -200.550
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: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2134.901066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.901066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.901066 (E_RNA)
where:
Base-Base interactions energy: -1448.176
where: short stacking energy: -623.837
Base-Backbone interact. energy: -1.874
local terms energy: -684.851552
where:
bonds (distance) C4'-P energy: -126.351
bonds (distance) P-C4' energy: -128.540
flat angles C4'-P-C4' energy: -148.473
flat angles P-C4'-P energy: -99.988
tors. eta vs tors. theta energy: -181.500
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: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2041.999306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.999306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.999306 (E_RNA)
where:
Base-Base interactions energy: -1407.527
where: short stacking energy: -595.204
Base-Backbone interact. energy: 3.294
local terms energy: -637.766737
where:
bonds (distance) C4'-P energy: -116.899
bonds (distance) P-C4' energy: -120.881
flat angles C4'-P-C4' energy: -146.551
flat angles P-C4'-P energy: -92.574
tors. eta vs tors. theta energy: -160.862
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: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1929.839178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.839178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.839178 (E_RNA)
where:
Base-Base interactions energy: -1306.718
where: short stacking energy: -584.648
Base-Backbone interact. energy: -2.087
local terms energy: -621.034405
where:
bonds (distance) C4'-P energy: -114.720
bonds (distance) P-C4' energy: -108.348
flat angles C4'-P-C4' energy: -144.937
flat angles P-C4'-P energy: -83.723
tors. eta vs tors. theta energy: -169.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1754.571124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.571124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.571124 (E_RNA)
where:
Base-Base interactions energy: -1182.398
where: short stacking energy: -483.616
Base-Backbone interact. energy: -0.904
local terms energy: -571.269039
where:
bonds (distance) C4'-P energy: -103.810
bonds (distance) P-C4' energy: -127.965
flat angles C4'-P-C4' energy: -132.384
flat angles P-C4'-P energy: -76.178
tors. eta vs tors. theta energy: -130.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1586.704128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.704128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.704128 (E_RNA)
where:
Base-Base interactions energy: -1052.556
where: short stacking energy: -475.380
Base-Backbone interact. energy: 2.334
local terms energy: -536.482079
where:
bonds (distance) C4'-P energy: -103.205
bonds (distance) P-C4' energy: -115.402
flat angles C4'-P-C4' energy: -115.239
flat angles P-C4'-P energy: -82.661
tors. eta vs tors. theta energy: -119.975
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: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1261.667346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.667346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.667346 (E_RNA)
where:
Base-Base interactions energy: -779.422
where: short stacking energy: -354.462
Base-Backbone interact. energy: -0.978
local terms energy: -481.267196
where:
bonds (distance) C4'-P energy: -115.822
bonds (distance) P-C4' energy: -103.664
flat angles C4'-P-C4' energy: -106.903
flat angles P-C4'-P energy: -87.555
tors. eta vs tors. theta energy: -67.323
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: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1047.580650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.580650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.580650 (E_RNA)
where:
Base-Base interactions energy: -618.727
where: short stacking energy: -290.618
Base-Backbone interact. energy: -2.169
local terms energy: -426.684512
where:
bonds (distance) C4'-P energy: -99.116
bonds (distance) P-C4' energy: -123.126
flat angles C4'-P-C4' energy: -105.739
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -32.600
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: 398
Temperature: 1.350000
Total energy: -918.087342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.087342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.087342 (E_RNA)
where:
Base-Base interactions energy: -533.192
where: short stacking energy: -253.795
Base-Backbone interact. energy: 1.722
local terms energy: -386.617723
where:
bonds (distance) C4'-P energy: -74.711
bonds (distance) P-C4' energy: -116.829
flat angles C4'-P-C4' energy: -104.853
flat angles P-C4'-P energy: -65.547
tors. eta vs tors. theta energy: -24.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2297.833550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.833550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.833550 (E_RNA)
where:
Base-Base interactions energy: -1591.258
where: short stacking energy: -703.680
Base-Backbone interact. energy: -4.549
local terms energy: -702.026242
where:
bonds (distance) C4'-P energy: -113.049
bonds (distance) P-C4' energy: -123.060
flat angles C4'-P-C4' energy: -158.194
flat angles P-C4'-P energy: -94.992
tors. eta vs tors. theta energy: -212.731
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: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2248.014246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.014246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.014246 (E_RNA)
where:
Base-Base interactions energy: -1543.303
where: short stacking energy: -673.893
Base-Backbone interact. energy: 1.656
local terms energy: -706.367158
where:
bonds (distance) C4'-P energy: -119.445
bonds (distance) P-C4' energy: -125.252
flat angles C4'-P-C4' energy: -151.635
flat angles P-C4'-P energy: -107.405
tors. eta vs tors. theta energy: -202.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2136.937802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.937802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.937802 (E_RNA)
where:
Base-Base interactions energy: -1459.312
where: short stacking energy: -610.820
Base-Backbone interact. energy: -2.494
local terms energy: -675.132031
where:
bonds (distance) C4'-P energy: -141.851
bonds (distance) P-C4' energy: -128.764
flat angles C4'-P-C4' energy: -136.901
flat angles P-C4'-P energy: -86.140
tors. eta vs tors. theta energy: -181.476
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: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2006.786469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.786469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.786469 (E_RNA)
where:
Base-Base interactions energy: -1367.891
where: short stacking energy: -570.397
Base-Backbone interact. energy: -1.810
local terms energy: -637.085621
where:
bonds (distance) C4'-P energy: -134.710
bonds (distance) P-C4' energy: -119.941
flat angles C4'-P-C4' energy: -131.737
flat angles P-C4'-P energy: -94.402
tors. eta vs tors. theta energy: -156.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1906.654299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.654299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.654299 (E_RNA)
where:
Base-Base interactions energy: -1263.874
where: short stacking energy: -560.417
Base-Backbone interact. energy: -1.824
local terms energy: -640.956409
where:
bonds (distance) C4'-P energy: -122.275
bonds (distance) P-C4' energy: -127.074
flat angles C4'-P-C4' energy: -141.803
flat angles P-C4'-P energy: -88.915
tors. eta vs tors. theta energy: -160.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1788.846107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.846107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.846107 (E_RNA)
where:
Base-Base interactions energy: -1219.633
where: short stacking energy: -504.644
Base-Backbone interact. energy: -2.355
local terms energy: -566.857855
where:
bonds (distance) C4'-P energy: -120.785
bonds (distance) P-C4' energy: -118.084
flat angles C4'-P-C4' energy: -129.001
flat angles P-C4'-P energy: -65.593
tors. eta vs tors. theta energy: -133.395
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: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1585.951993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.951993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.951993 (E_RNA)
where:
Base-Base interactions energy: -1076.553
where: short stacking energy: -463.407
Base-Backbone interact. energy: 0.044
local terms energy: -509.443536
where:
bonds (distance) C4'-P energy: -81.282
bonds (distance) P-C4' energy: -103.100
flat angles C4'-P-C4' energy: -121.453
flat angles P-C4'-P energy: -78.917
tors. eta vs tors. theta energy: -124.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1191.693538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.693538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.693538 (E_RNA)
where:
Base-Base interactions energy: -723.113
where: short stacking energy: -315.878
Base-Backbone interact. energy: 7.756
local terms energy: -476.336579
where:
bonds (distance) C4'-P energy: -107.668
bonds (distance) P-C4' energy: -126.416
flat angles C4'-P-C4' energy: -118.588
flat angles P-C4'-P energy: -76.157
tors. eta vs tors. theta energy: -47.507
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: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1099.253212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.253212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.253212 (E_RNA)
where:
Base-Base interactions energy: -672.874
where: short stacking energy: -313.109
Base-Backbone interact. energy: 1.367
local terms energy: -427.745688
where:
bonds (distance) C4'-P energy: -107.139
bonds (distance) P-C4' energy: -114.493
flat angles C4'-P-C4' energy: -106.368
flat angles P-C4'-P energy: -58.135
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: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -878.801521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.801521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.801521 (E_RNA)
where:
Base-Base interactions energy: -507.236
where: short stacking energy: -277.552
Base-Backbone interact. energy: 4.053
local terms energy: -375.618137
where:
bonds (distance) C4'-P energy: -111.644
bonds (distance) P-C4' energy: -114.540
flat angles C4'-P-C4' energy: -79.394
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2333.782666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.782666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.782666 (E_RNA)
where:
Base-Base interactions energy: -1623.952
where: short stacking energy: -677.069
Base-Backbone interact. energy: -1.101
local terms energy: -708.730229
where:
bonds (distance) C4'-P energy: -130.756
bonds (distance) P-C4' energy: -124.666
flat angles C4'-P-C4' energy: -153.072
flat angles P-C4'-P energy: -104.193
tors. eta vs tors. theta energy: -196.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2269.663017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.663017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.663017 (E_RNA)
where:
Base-Base interactions energy: -1572.705
where: short stacking energy: -688.530
Base-Backbone interact. energy: 1.530
local terms energy: -698.488700
where:
bonds (distance) C4'-P energy: -116.589
bonds (distance) P-C4' energy: -116.659
flat angles C4'-P-C4' energy: -152.831
flat angles P-C4'-P energy: -100.821
tors. eta vs tors. theta energy: -211.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2138.688618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.688618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.688618 (E_RNA)
where:
Base-Base interactions energy: -1449.090
where: short stacking energy: -651.696
Base-Backbone interact. energy: 0.422
local terms energy: -690.020279
where:
bonds (distance) C4'-P energy: -126.621
bonds (distance) P-C4' energy: -119.942
flat angles C4'-P-C4' energy: -150.830
flat angles P-C4'-P energy: -92.977
tors. eta vs tors. theta energy: -199.651
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: 400
Temperature: 1.050000
Total energy: -2062.759469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.759469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.759469 (E_RNA)
where:
Base-Base interactions energy: -1433.312
where: short stacking energy: -594.885
Base-Backbone interact. energy: -2.948
local terms energy: -626.499178
where:
bonds (distance) C4'-P energy: -103.961
bonds (distance) P-C4' energy: -130.864
flat angles C4'-P-C4' energy: -137.560
flat angles P-C4'-P energy: -91.375
tors. eta vs tors. theta energy: -162.738
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: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1863.980560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.980560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.980560 (E_RNA)
where:
Base-Base interactions energy: -1243.628
where: short stacking energy: -542.797
Base-Backbone interact. energy: -2.889
local terms energy: -617.463630
where:
bonds (distance) C4'-P energy: -119.055
bonds (distance) P-C4' energy: -121.291
flat angles C4'-P-C4' energy: -147.063
flat angles P-C4'-P energy: -81.272
tors. eta vs tors. theta energy: -148.783
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: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1817.494693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.494693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.494693 (E_RNA)
where:
Base-Base interactions energy: -1249.191
where: short stacking energy: -529.737
Base-Backbone interact. energy: -0.832
local terms energy: -567.472104
where:
bonds (distance) C4'-P energy: -103.222
bonds (distance) P-C4' energy: -122.286
flat angles C4'-P-C4' energy: -121.314
flat angles P-C4'-P energy: -82.917
tors. eta vs tors. theta energy: -137.733
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: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1628.562458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.562458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.562458 (E_RNA)
where:
Base-Base interactions energy: -1086.832
where: short stacking energy: -471.019
Base-Backbone interact. energy: -0.905
local terms energy: -540.825811
where:
bonds (distance) C4'-P energy: -122.140
bonds (distance) P-C4' energy: -119.368
flat angles C4'-P-C4' energy: -108.840
flat angles P-C4'-P energy: -66.332
tors. eta vs tors. theta energy: -124.146
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: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1238.042993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.042993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.042993 (E_RNA)
where:
Base-Base interactions energy: -771.506
where: short stacking energy: -353.147
Base-Backbone interact. energy: 3.320
local terms energy: -469.857516
where:
bonds (distance) C4'-P energy: -108.852
bonds (distance) P-C4' energy: -125.286
flat angles C4'-P-C4' energy: -107.944
flat angles P-C4'-P energy: -72.920
tors. eta vs tors. theta energy: -54.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1159.282164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.282164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.282164 (E_RNA)
where:
Base-Base interactions energy: -717.433
where: short stacking energy: -321.671
Base-Backbone interact. energy: 0.902
local terms energy: -442.750883
where:
bonds (distance) C4'-P energy: -106.906
bonds (distance) P-C4' energy: -101.949
flat angles C4'-P-C4' energy: -115.871
flat angles P-C4'-P energy: -73.042
tors. eta vs tors. theta energy: -44.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -993.494537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.494537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.494537 (E_RNA)
where:
Base-Base interactions energy: -594.499
where: short stacking energy: -278.318
Base-Backbone interact. energy: 6.446
local terms energy: -405.441380
where:
bonds (distance) C4'-P energy: -106.085
bonds (distance) P-C4' energy: -110.977
flat angles C4'-P-C4' energy: -92.757
flat angles P-C4'-P energy: -46.389
tors. eta vs tors. theta energy: -49.233
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: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2347.325085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.325085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.325085 (E_RNA)
where:
Base-Base interactions energy: -1641.787
where: short stacking energy: -697.280
Base-Backbone interact. energy: 0.444
local terms energy: -705.981782
where:
bonds (distance) C4'-P energy: -132.997
bonds (distance) P-C4' energy: -129.610
flat angles C4'-P-C4' energy: -155.739
flat angles P-C4'-P energy: -84.011
tors. eta vs tors. theta energy: -203.624
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: 2, replica: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2271.294507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.294507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.294507 (E_RNA)
where:
Base-Base interactions energy: -1545.208
where: short stacking energy: -683.984
Base-Backbone interact. energy: 0.263
local terms energy: -726.350070
where:
bonds (distance) C4'-P energy: -129.142
bonds (distance) P-C4' energy: -139.790
flat angles C4'-P-C4' energy: -148.857
flat angles P-C4'-P energy: -100.891
tors. eta vs tors. theta energy: -207.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2137.342323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.342323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.342323 (E_RNA)
where:
Base-Base interactions energy: -1467.290
where: short stacking energy: -638.365
Base-Backbone interact. energy: 0.497
local terms energy: -670.548910
where:
bonds (distance) C4'-P energy: -127.297
bonds (distance) P-C4' energy: -132.878
flat angles C4'-P-C4' energy: -143.240
flat angles P-C4'-P energy: -78.016
tors. eta vs tors. theta energy: -189.117
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: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2082.213361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.213361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.213361 (E_RNA)
where:
Base-Base interactions energy: -1451.356
where: short stacking energy: -604.949
Base-Backbone interact. energy: -0.392
local terms energy: -630.465532
where:
bonds (distance) C4'-P energy: -112.948
bonds (distance) P-C4' energy: -124.594
flat angles C4'-P-C4' energy: -131.938
flat angles P-C4'-P energy: -86.436
tors. eta vs tors. theta energy: -174.550
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: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1883.936261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.936261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.936261 (E_RNA)
where:
Base-Base interactions energy: -1293.848
where: short stacking energy: -590.597
Base-Backbone interact. energy: 0.444
local terms energy: -590.531397
where:
bonds (distance) C4'-P energy: -117.244
bonds (distance) P-C4' energy: -122.756
flat angles C4'-P-C4' energy: -109.161
flat angles P-C4'-P energy: -72.063
tors. eta vs tors. theta energy: -169.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1830.508857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.508857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.508857 (E_RNA)
where:
Base-Base interactions energy: -1284.611
where: short stacking energy: -527.011
Base-Backbone interact. energy: 1.181
local terms energy: -547.078636
where:
bonds (distance) C4'-P energy: -94.925
bonds (distance) P-C4' energy: -127.162
flat angles C4'-P-C4' energy: -112.754
flat angles P-C4'-P energy: -81.627
tors. eta vs tors. theta energy: -130.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1575.913196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.913196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.913196 (E_RNA)
where:
Base-Base interactions energy: -1015.308
where: short stacking energy: -435.253
Base-Backbone interact. energy: -2.204
local terms energy: -558.401043
where:
bonds (distance) C4'-P energy: -114.451
bonds (distance) P-C4' energy: -120.241
flat angles C4'-P-C4' energy: -126.904
flat angles P-C4'-P energy: -83.420
tors. eta vs tors. theta energy: -113.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1225.539468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.539468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.539468 (E_RNA)
where:
Base-Base interactions energy: -757.285
where: short stacking energy: -360.157
Base-Backbone interact. energy: -1.146
local terms energy: -467.107813
where:
bonds (distance) C4'-P energy: -104.354
bonds (distance) P-C4' energy: -115.492
flat angles C4'-P-C4' energy: -124.820
flat angles P-C4'-P energy: -52.821
tors. eta vs tors. theta energy: -69.621
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: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1184.711724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.711724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.711724 (E_RNA)
where:
Base-Base interactions energy: -763.708
where: short stacking energy: -345.578
Base-Backbone interact. energy: -1.719
local terms energy: -419.284842
where:
bonds (distance) C4'-P energy: -96.512
bonds (distance) P-C4' energy: -92.595
flat angles C4'-P-C4' energy: -96.591
flat angles P-C4'-P energy: -57.106
tors. eta vs tors. theta energy: -76.481
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: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -917.883993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.883993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.883993 (E_RNA)
where:
Base-Base interactions energy: -529.020
where: short stacking energy: -252.228
Base-Backbone interact. energy: 3.073
local terms energy: -391.936290
where:
bonds (distance) C4'-P energy: -120.945
bonds (distance) P-C4' energy: -112.009
flat angles C4'-P-C4' energy: -86.548
flat angles P-C4'-P energy: -56.859
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2313.416107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.416107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.416107 (E_RNA)
where:
Base-Base interactions energy: -1584.619
where: short stacking energy: -684.822
Base-Backbone interact. energy: -3.448
local terms energy: -725.349300
where:
bonds (distance) C4'-P energy: -138.291
bonds (distance) P-C4' energy: -128.148
flat angles C4'-P-C4' energy: -150.693
flat angles P-C4'-P energy: -106.042
tors. eta vs tors. theta energy: -202.176
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: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2287.392651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.392651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.392651 (E_RNA)
where:
Base-Base interactions energy: -1567.256
where: short stacking energy: -677.622
Base-Backbone interact. energy: 2.459
local terms energy: -722.596411
where:
bonds (distance) C4'-P energy: -131.862
bonds (distance) P-C4' energy: -136.284
flat angles C4'-P-C4' energy: -148.394
flat angles P-C4'-P energy: -95.464
tors. eta vs tors. theta energy: -210.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2137.900025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.900025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.900025 (E_RNA)
where:
Base-Base interactions energy: -1489.128
where: short stacking energy: -660.532
Base-Backbone interact. energy: -1.667
local terms energy: -647.104885
where:
bonds (distance) C4'-P energy: -123.693
bonds (distance) P-C4' energy: -113.602
flat angles C4'-P-C4' energy: -143.844
flat angles P-C4'-P energy: -83.874
tors. eta vs tors. theta energy: -182.092
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: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2072.073437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.073437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.073437 (E_RNA)
where:
Base-Base interactions energy: -1406.024
where: short stacking energy: -612.072
Base-Backbone interact. energy: -3.128
local terms energy: -662.921276
where:
bonds (distance) C4'-P energy: -124.778
bonds (distance) P-C4' energy: -135.314
flat angles C4'-P-C4' energy: -137.498
flat angles P-C4'-P energy: -87.143
tors. eta vs tors. theta energy: -178.189
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: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1869.400341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.400341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.400341 (E_RNA)
where:
Base-Base interactions energy: -1260.457
where: short stacking energy: -563.341
Base-Backbone interact. energy: -1.208
local terms energy: -607.735757
where:
bonds (distance) C4'-P energy: -112.304
bonds (distance) P-C4' energy: -126.090
flat angles C4'-P-C4' energy: -133.412
flat angles P-C4'-P energy: -68.853
tors. eta vs tors. theta energy: -167.076
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: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1849.004307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.004307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.004307 (E_RNA)
where:
Base-Base interactions energy: -1262.262
where: short stacking energy: -514.635
Base-Backbone interact. energy: -2.547
local terms energy: -584.195178
where:
bonds (distance) C4'-P energy: -114.274
bonds (distance) P-C4' energy: -113.826
flat angles C4'-P-C4' energy: -129.991
flat angles P-C4'-P energy: -68.154
tors. eta vs tors. theta energy: -157.950
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: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1493.410892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.410892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.410892 (E_RNA)
where:
Base-Base interactions energy: -1002.279
where: short stacking energy: -440.450
Base-Backbone interact. energy: -1.238
local terms energy: -489.893792
where:
bonds (distance) C4'-P energy: -112.602
bonds (distance) P-C4' energy: -113.786
flat angles C4'-P-C4' energy: -104.028
flat angles P-C4'-P energy: -73.340
tors. eta vs tors. theta energy: -86.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1289.967828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.967828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.967828 (E_RNA)
where:
Base-Base interactions energy: -796.731
where: short stacking energy: -383.148
Base-Backbone interact. energy: 1.005
local terms energy: -494.242006
where:
bonds (distance) C4'-P energy: -89.846
bonds (distance) P-C4' energy: -129.718
flat angles C4'-P-C4' energy: -112.735
flat angles P-C4'-P energy: -78.130
tors. eta vs tors. theta energy: -83.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1135.829841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.829841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.829841 (E_RNA)
where:
Base-Base interactions energy: -716.168
where: short stacking energy: -313.269
Base-Backbone interact. energy: -0.841
local terms energy: -418.821226
where:
bonds (distance) C4'-P energy: -110.344
bonds (distance) P-C4' energy: -115.987
flat angles C4'-P-C4' energy: -106.558
flat angles P-C4'-P energy: -52.308
tors. eta vs tors. theta energy: -33.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -870.173582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.173582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.173582 (E_RNA)
where:
Base-Base interactions energy: -515.240
where: short stacking energy: -244.521
Base-Backbone interact. energy: 0.849
local terms energy: -355.781984
where:
bonds (distance) C4'-P energy: -90.148
bonds (distance) P-C4' energy: -105.603
flat angles C4'-P-C4' energy: -103.174
flat angles P-C4'-P energy: -49.045
tors. eta vs tors. theta energy: -7.812
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: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2323.009076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.009076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.009076 (E_RNA)
where:
Base-Base interactions energy: -1601.157
where: short stacking energy: -691.077
Base-Backbone interact. energy: -1.949
local terms energy: -719.902963
where:
bonds (distance) C4'-P energy: -125.133
bonds (distance) P-C4' energy: -134.883
flat angles C4'-P-C4' energy: -155.423
flat angles P-C4'-P energy: -97.457
tors. eta vs tors. theta energy: -207.007
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: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2291.283587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.283587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.283587 (E_RNA)
where:
Base-Base interactions energy: -1601.366
where: short stacking energy: -698.433
Base-Backbone interact. energy: -1.147
local terms energy: -688.770606
where:
bonds (distance) C4'-P energy: -117.577
bonds (distance) P-C4' energy: -124.682
flat angles C4'-P-C4' energy: -142.502
flat angles P-C4'-P energy: -95.940
tors. eta vs tors. theta energy: -208.070
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: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2124.094915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.094915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.094915 (E_RNA)
where:
Base-Base interactions energy: -1446.776
where: short stacking energy: -638.702
Base-Backbone interact. energy: -3.175
local terms energy: -674.143888
where:
bonds (distance) C4'-P energy: -126.688
bonds (distance) P-C4' energy: -119.705
flat angles C4'-P-C4' energy: -130.881
flat angles P-C4'-P energy: -93.201
tors. eta vs tors. theta energy: -203.668
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: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2011.330024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.330024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.330024 (E_RNA)
where:
Base-Base interactions energy: -1368.219
where: short stacking energy: -578.609
Base-Backbone interact. energy: -1.736
local terms energy: -641.375037
where:
bonds (distance) C4'-P energy: -111.227
bonds (distance) P-C4' energy: -128.607
flat angles C4'-P-C4' energy: -142.328
flat angles P-C4'-P energy: -106.826
tors. eta vs tors. theta energy: -152.387
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: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1924.239098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.239098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.239098 (E_RNA)
where:
Base-Base interactions energy: -1300.319
where: short stacking energy: -551.090
Base-Backbone interact. energy: -2.008
local terms energy: -621.912437
where:
bonds (distance) C4'-P energy: -122.515
bonds (distance) P-C4' energy: -112.587
flat angles C4'-P-C4' energy: -137.116
flat angles P-C4'-P energy: -88.661
tors. eta vs tors. theta energy: -161.033
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: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1876.848112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.848112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.848112 (E_RNA)
where:
Base-Base interactions energy: -1296.646
where: short stacking energy: -556.323
Base-Backbone interact. energy: -4.334
local terms energy: -575.868047
where:
bonds (distance) C4'-P energy: -111.478
bonds (distance) P-C4' energy: -113.928
flat angles C4'-P-C4' energy: -128.189
flat angles P-C4'-P energy: -79.112
tors. eta vs tors. theta energy: -143.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1470.826186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.826186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.826186 (E_RNA)
where:
Base-Base interactions energy: -965.108
where: short stacking energy: -415.593
Base-Backbone interact. energy: 0.990
local terms energy: -506.708170
where:
bonds (distance) C4'-P energy: -89.368
bonds (distance) P-C4' energy: -118.978
flat angles C4'-P-C4' energy: -126.545
flat angles P-C4'-P energy: -79.737
tors. eta vs tors. theta energy: -92.080
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: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1277.968449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.968449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.968449 (E_RNA)
where:
Base-Base interactions energy: -800.306
where: short stacking energy: -363.889
Base-Backbone interact. energy: 1.069
local terms energy: -478.731154
where:
bonds (distance) C4'-P energy: -105.891
bonds (distance) P-C4' energy: -110.488
flat angles C4'-P-C4' energy: -105.483
flat angles P-C4'-P energy: -83.634
tors. eta vs tors. theta energy: -73.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1133.384578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.384578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.384578 (E_RNA)
where:
Base-Base interactions energy: -699.584
where: short stacking energy: -345.747
Base-Backbone interact. energy: -2.537
local terms energy: -431.262969
where:
bonds (distance) C4'-P energy: -114.422
bonds (distance) P-C4' energy: -92.343
flat angles C4'-P-C4' energy: -106.951
flat angles P-C4'-P energy: -62.952
tors. eta vs tors. theta energy: -54.594
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: 403
Temperature: 1.350000
Total energy: -826.424020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.424020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.424020 (E_RNA)
where:
Base-Base interactions energy: -444.621
where: short stacking energy: -219.421
Base-Backbone interact. energy: -0.977
local terms energy: -380.825334
where:
bonds (distance) C4'-P energy: -85.072
bonds (distance) P-C4' energy: -120.002
flat angles C4'-P-C4' energy: -106.567
flat angles P-C4'-P energy: -63.730
tors. eta vs tors. theta energy: -5.454
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: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2331.824183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.824183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.824183 (E_RNA)
where:
Base-Base interactions energy: -1579.888
where: short stacking energy: -704.806
Base-Backbone interact. energy: -1.273
local terms energy: -750.663665
where:
bonds (distance) C4'-P energy: -134.458
bonds (distance) P-C4' energy: -146.559
flat angles C4'-P-C4' energy: -153.575
flat angles P-C4'-P energy: -108.783
tors. eta vs tors. theta energy: -207.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2274.216762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.216762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.216762 (E_RNA)
where:
Base-Base interactions energy: -1534.634
where: short stacking energy: -673.461
Base-Backbone interact. energy: -0.659
local terms energy: -738.923709
where:
bonds (distance) C4'-P energy: -138.346
bonds (distance) P-C4' energy: -128.945
flat angles C4'-P-C4' energy: -148.068
flat angles P-C4'-P energy: -119.284
tors. eta vs tors. theta energy: -204.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2203.993254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.993254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.993254 (E_RNA)
where:
Base-Base interactions energy: -1512.693
where: short stacking energy: -634.563
Base-Backbone interact. energy: 0.419
local terms energy: -691.719359
where:
bonds (distance) C4'-P energy: -130.951
bonds (distance) P-C4' energy: -116.771
flat angles C4'-P-C4' energy: -148.561
flat angles P-C4'-P energy: -100.884
tors. eta vs tors. theta energy: -194.553
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: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2033.056032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.056032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.056032 (E_RNA)
where:
Base-Base interactions energy: -1403.189
where: short stacking energy: -598.934
Base-Backbone interact. energy: 2.915
local terms energy: -632.782119
where:
bonds (distance) C4'-P energy: -115.836
bonds (distance) P-C4' energy: -117.588
flat angles C4'-P-C4' energy: -142.211
flat angles P-C4'-P energy: -95.993
tors. eta vs tors. theta energy: -161.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1883.227047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.227047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.227047 (E_RNA)
where:
Base-Base interactions energy: -1245.370
where: short stacking energy: -570.093
Base-Backbone interact. energy: 0.612
local terms energy: -638.469279
where:
bonds (distance) C4'-P energy: -131.433
bonds (distance) P-C4' energy: -136.226
flat angles C4'-P-C4' energy: -123.100
flat angles P-C4'-P energy: -82.834
tors. eta vs tors. theta energy: -164.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1802.051044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.051044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.051044 (E_RNA)
where:
Base-Base interactions energy: -1196.132
where: short stacking energy: -500.668
Base-Backbone interact. energy: 0.454
local terms energy: -606.372419
where:
bonds (distance) C4'-P energy: -102.145
bonds (distance) P-C4' energy: -130.606
flat angles C4'-P-C4' energy: -126.902
flat angles P-C4'-P energy: -95.766
tors. eta vs tors. theta energy: -150.954
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: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1538.065465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.065465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.065465 (E_RNA)
where:
Base-Base interactions energy: -994.233
where: short stacking energy: -422.874
Base-Backbone interact. energy: 3.159
local terms energy: -546.991573
where:
bonds (distance) C4'-P energy: -111.437
bonds (distance) P-C4' energy: -109.045
flat angles C4'-P-C4' energy: -128.086
flat angles P-C4'-P energy: -86.523
tors. eta vs tors. theta energy: -111.900
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: 404
Temperature: 1.250000
Total energy: -1229.210110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.210110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.210110 (E_RNA)
where:
Base-Base interactions energy: -764.635
where: short stacking energy: -368.836
Base-Backbone interact. energy: 0.285
local terms energy: -464.859623
where:
bonds (distance) C4'-P energy: -117.476
bonds (distance) P-C4' energy: -113.609
flat angles C4'-P-C4' energy: -109.728
flat angles P-C4'-P energy: -66.752
tors. eta vs tors. theta energy: -57.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1149.447299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.447299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.447299 (E_RNA)
where:
Base-Base interactions energy: -709.195
where: short stacking energy: -314.088
Base-Backbone interact. energy: -0.102
local terms energy: -440.151236
where:
bonds (distance) C4'-P energy: -103.263
bonds (distance) P-C4' energy: -108.791
flat angles C4'-P-C4' energy: -108.233
flat angles P-C4'-P energy: -72.780
tors. eta vs tors. theta energy: -47.083
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: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -862.594839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.594839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.594839 (E_RNA)
where:
Base-Base interactions energy: -471.565
where: short stacking energy: -235.720
Base-Backbone interact. energy: -1.868
local terms energy: -389.161518
where:
bonds (distance) C4'-P energy: -111.589
bonds (distance) P-C4' energy: -114.976
flat angles C4'-P-C4' energy: -91.039
flat angles P-C4'-P energy: -58.796
tors. eta vs tors. theta energy: -12.761
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: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2320.672888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.672888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.672888 (E_RNA)
where:
Base-Base interactions energy: -1590.462
where: short stacking energy: -707.654
Base-Backbone interact. energy: -2.519
local terms energy: -727.691686
where:
bonds (distance) C4'-P energy: -125.203
bonds (distance) P-C4' energy: -136.544
flat angles C4'-P-C4' energy: -148.823
flat angles P-C4'-P energy: -104.380
tors. eta vs tors. theta energy: -212.742
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: 405
Temperature: 0.950000
Total energy: -2280.920033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.920033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.920033 (E_RNA)
where:
Base-Base interactions energy: -1550.967
where: short stacking energy: -681.510
Base-Backbone interact. energy: -2.646
local terms energy: -727.306633
where:
bonds (distance) C4'-P energy: -124.753
bonds (distance) P-C4' energy: -132.685
flat angles C4'-P-C4' energy: -153.642
flat angles P-C4'-P energy: -98.966
tors. eta vs tors. theta energy: -217.261
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: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2158.005889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.005889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.005889 (E_RNA)
where:
Base-Base interactions energy: -1502.192
where: short stacking energy: -661.849
Base-Backbone interact. energy: 0.842
local terms energy: -656.655391
where:
bonds (distance) C4'-P energy: -105.315
bonds (distance) P-C4' energy: -129.529
flat angles C4'-P-C4' energy: -136.785
flat angles P-C4'-P energy: -90.852
tors. eta vs tors. theta energy: -194.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1998.718025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.718025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.718025 (E_RNA)
where:
Base-Base interactions energy: -1388.198
where: short stacking energy: -581.827
Base-Backbone interact. energy: -1.380
local terms energy: -609.139977
where:
bonds (distance) C4'-P energy: -109.434
bonds (distance) P-C4' energy: -105.112
flat angles C4'-P-C4' energy: -140.878
flat angles P-C4'-P energy: -82.743
tors. eta vs tors. theta energy: -170.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1905.559793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.559793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.559793 (E_RNA)
where:
Base-Base interactions energy: -1253.902
where: short stacking energy: -561.787
Base-Backbone interact. energy: -3.154
local terms energy: -648.503711
where:
bonds (distance) C4'-P energy: -139.097
bonds (distance) P-C4' energy: -122.341
flat angles C4'-P-C4' energy: -132.668
flat angles P-C4'-P energy: -92.887
tors. eta vs tors. theta energy: -161.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1759.395806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.395806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.395806 (E_RNA)
where:
Base-Base interactions energy: -1178.524
where: short stacking energy: -517.616
Base-Backbone interact. energy: -1.717
local terms energy: -579.154835
where:
bonds (distance) C4'-P energy: -122.939
bonds (distance) P-C4' energy: -112.854
flat angles C4'-P-C4' energy: -117.912
flat angles P-C4'-P energy: -68.821
tors. eta vs tors. theta energy: -156.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1495.120868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.120868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.120868 (E_RNA)
where:
Base-Base interactions energy: -987.275
where: short stacking energy: -440.546
Base-Backbone interact. energy: 3.270
local terms energy: -511.116438
where:
bonds (distance) C4'-P energy: -111.275
bonds (distance) P-C4' energy: -113.049
flat angles C4'-P-C4' energy: -121.989
flat angles P-C4'-P energy: -72.240
tors. eta vs tors. theta energy: -92.564
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: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1272.719001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.719001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.719001 (E_RNA)
where:
Base-Base interactions energy: -806.747
where: short stacking energy: -368.897
Base-Backbone interact. energy: -2.261
local terms energy: -463.710224
where:
bonds (distance) C4'-P energy: -100.463
bonds (distance) P-C4' energy: -107.423
flat angles C4'-P-C4' energy: -112.676
flat angles P-C4'-P energy: -81.799
tors. eta vs tors. theta energy: -61.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1178.192035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.192035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.192035 (E_RNA)
where:
Base-Base interactions energy: -767.477
where: short stacking energy: -306.876
Base-Backbone interact. energy: -2.829
local terms energy: -407.885781
where:
bonds (distance) C4'-P energy: -118.828
bonds (distance) P-C4' energy: -109.914
flat angles C4'-P-C4' energy: -89.641
flat angles P-C4'-P energy: -56.308
tors. eta vs tors. theta energy: -33.195
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: 405
Temperature: 1.350000
Total energy: -920.950616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.950616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.950616 (E_RNA)
where:
Base-Base interactions energy: -550.810
where: short stacking energy: -278.301
Base-Backbone interact. energy: 0.343
local terms energy: -370.483347
where:
bonds (distance) C4'-P energy: -99.922
bonds (distance) P-C4' energy: -89.634
flat angles C4'-P-C4' energy: -107.769
flat angles P-C4'-P energy: -57.446
tors. eta vs tors. theta energy: -15.713
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: 1, replica: 9
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2310.611899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.611899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.611899 (E_RNA)
where:
Base-Base interactions energy: -1594.771
where: short stacking energy: -687.866
Base-Backbone interact. energy: -2.411
local terms energy: -713.430052
where:
bonds (distance) C4'-P energy: -125.167
bonds (distance) P-C4' energy: -139.147
flat angles C4'-P-C4' energy: -151.337
flat angles P-C4'-P energy: -99.502
tors. eta vs tors. theta energy: -198.277
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: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2250.502246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.502246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.502246 (E_RNA)
where:
Base-Base interactions energy: -1553.816
where: short stacking energy: -670.803
Base-Backbone interact. energy: -1.828
local terms energy: -694.857735
where:
bonds (distance) C4'-P energy: -117.821
bonds (distance) P-C4' energy: -117.871
flat angles C4'-P-C4' energy: -158.379
flat angles P-C4'-P energy: -91.820
tors. eta vs tors. theta energy: -208.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2137.347977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.347977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.347977 (E_RNA)
where:
Base-Base interactions energy: -1490.498
where: short stacking energy: -639.656
Base-Backbone interact. energy: -2.362
local terms energy: -644.488090
where:
bonds (distance) C4'-P energy: -105.497
bonds (distance) P-C4' energy: -119.684
flat angles C4'-P-C4' energy: -146.291
flat angles P-C4'-P energy: -100.874
tors. eta vs tors. theta energy: -172.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2040.260079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.260079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.260079 (E_RNA)
where:
Base-Base interactions energy: -1404.249
where: short stacking energy: -591.616
Base-Backbone interact. energy: 5.770
local terms energy: -641.781108
where:
bonds (distance) C4'-P energy: -115.852
bonds (distance) P-C4' energy: -121.686
flat angles C4'-P-C4' energy: -139.918
flat angles P-C4'-P energy: -102.840
tors. eta vs tors. theta energy: -161.485
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: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1833.033035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.033035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.033035 (E_RNA)
where:
Base-Base interactions energy: -1228.534
where: short stacking energy: -547.605
Base-Backbone interact. energy: -0.685
local terms energy: -603.814131
where:
bonds (distance) C4'-P energy: -112.751
bonds (distance) P-C4' energy: -130.870
flat angles C4'-P-C4' energy: -141.190
flat angles P-C4'-P energy: -73.037
tors. eta vs tors. theta energy: -145.966
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: 406
Temperature: 1.150000
Total energy: -1821.980614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.980614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.980614 (E_RNA)
where:
Base-Base interactions energy: -1234.784
where: short stacking energy: -502.593
Base-Backbone interact. energy: 2.397
local terms energy: -589.593904
where:
bonds (distance) C4'-P energy: -130.309
bonds (distance) P-C4' energy: -119.857
flat angles C4'-P-C4' energy: -109.777
flat angles P-C4'-P energy: -92.794
tors. eta vs tors. theta energy: -136.857
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: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1532.226520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.226520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.226520 (E_RNA)
where:
Base-Base interactions energy: -1034.380
where: short stacking energy: -450.763
Base-Backbone interact. energy: -2.701
local terms energy: -495.146093
where:
bonds (distance) C4'-P energy: -93.366
bonds (distance) P-C4' energy: -95.035
flat angles C4'-P-C4' energy: -118.103
flat angles P-C4'-P energy: -85.611
tors. eta vs tors. theta energy: -103.031
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: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1243.401316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.401316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.401316 (E_RNA)
where:
Base-Base interactions energy: -764.843
where: short stacking energy: -350.572
Base-Backbone interact. energy: -1.653
local terms energy: -476.905989
where:
bonds (distance) C4'-P energy: -95.906
bonds (distance) P-C4' energy: -119.462
flat angles C4'-P-C4' energy: -113.372
flat angles P-C4'-P energy: -83.887
tors. eta vs tors. theta energy: -64.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1140.144220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.144220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.144220 (E_RNA)
where:
Base-Base interactions energy: -735.818
where: short stacking energy: -322.645
Base-Backbone interact. energy: 9.321
local terms energy: -413.647538
where:
bonds (distance) C4'-P energy: -99.733
bonds (distance) P-C4' energy: -116.490
flat angles C4'-P-C4' energy: -101.038
flat angles P-C4'-P energy: -53.517
tors. eta vs tors. theta energy: -42.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -863.374891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.374891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.374891 (E_RNA)
where:
Base-Base interactions energy: -491.483
where: short stacking energy: -250.043
Base-Backbone interact. energy: 1.613
local terms energy: -373.504527
where:
bonds (distance) C4'-P energy: -106.969
bonds (distance) P-C4' energy: -102.191
flat angles C4'-P-C4' energy: -116.177
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -22.926
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: 1, replica: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2297.065353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.065353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.065353 (E_RNA)
where:
Base-Base interactions energy: -1577.697
where: short stacking energy: -673.967
Base-Backbone interact. energy: -0.637
local terms energy: -718.731351
where:
bonds (distance) C4'-P energy: -133.495
bonds (distance) P-C4' energy: -130.413
flat angles C4'-P-C4' energy: -148.917
flat angles P-C4'-P energy: -107.699
tors. eta vs tors. theta energy: -198.208
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: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2229.379145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.379145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.379145 (E_RNA)
where:
Base-Base interactions energy: -1504.722
where: short stacking energy: -668.811
Base-Backbone interact. energy: -2.535
local terms energy: -722.121922
where:
bonds (distance) C4'-P energy: -140.138
bonds (distance) P-C4' energy: -138.163
flat angles C4'-P-C4' energy: -138.667
flat angles P-C4'-P energy: -100.770
tors. eta vs tors. theta energy: -204.385
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: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2147.238268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.238268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.238268 (E_RNA)
where:
Base-Base interactions energy: -1451.880
where: short stacking energy: -650.159
Base-Backbone interact. energy: -2.931
local terms energy: -692.427668
where:
bonds (distance) C4'-P energy: -124.232
bonds (distance) P-C4' energy: -137.747
flat angles C4'-P-C4' energy: -143.699
flat angles P-C4'-P energy: -97.522
tors. eta vs tors. theta energy: -189.227
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: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2007.151952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.151952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.151952 (E_RNA)
where:
Base-Base interactions energy: -1371.972
where: short stacking energy: -574.488
Base-Backbone interact. energy: 0.358
local terms energy: -635.538085
where:
bonds (distance) C4'-P energy: -122.894
bonds (distance) P-C4' energy: -130.431
flat angles C4'-P-C4' energy: -146.638
flat angles P-C4'-P energy: -71.431
tors. eta vs tors. theta energy: -164.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1871.386704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.386704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.386704 (E_RNA)
where:
Base-Base interactions energy: -1235.639
where: short stacking energy: -565.754
Base-Backbone interact. energy: -1.606
local terms energy: -634.141459
where:
bonds (distance) C4'-P energy: -115.030
bonds (distance) P-C4' energy: -119.691
flat angles C4'-P-C4' energy: -145.771
flat angles P-C4'-P energy: -86.326
tors. eta vs tors. theta energy: -167.324
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: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1815.186168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.186168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.186168 (E_RNA)
where:
Base-Base interactions energy: -1242.568
where: short stacking energy: -516.638
Base-Backbone interact. energy: 1.334
local terms energy: -573.951765
where:
bonds (distance) C4'-P energy: -111.923
bonds (distance) P-C4' energy: -111.283
flat angles C4'-P-C4' energy: -134.612
flat angles P-C4'-P energy: -78.185
tors. eta vs tors. theta energy: -137.948
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: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1485.089760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.089760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.089760 (E_RNA)
where:
Base-Base interactions energy: -1000.862
where: short stacking energy: -462.928
Base-Backbone interact. energy: -1.463
local terms energy: -482.763974
where:
bonds (distance) C4'-P energy: -107.480
bonds (distance) P-C4' energy: -91.818
flat angles C4'-P-C4' energy: -109.213
flat angles P-C4'-P energy: -71.821
tors. eta vs tors. theta energy: -102.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1259.354057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.354057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.354057 (E_RNA)
where:
Base-Base interactions energy: -751.836
where: short stacking energy: -368.440
Base-Backbone interact. energy: 0.818
local terms energy: -508.335983
where:
bonds (distance) C4'-P energy: -99.343
bonds (distance) P-C4' energy: -132.637
flat angles C4'-P-C4' energy: -122.817
flat angles P-C4'-P energy: -75.659
tors. eta vs tors. theta energy: -77.879
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: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1130.660519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.660519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.660519 (E_RNA)
where:
Base-Base interactions energy: -724.087
where: short stacking energy: -324.374
Base-Backbone interact. energy: 6.722
local terms energy: -413.295185
where:
bonds (distance) C4'-P energy: -89.287
bonds (distance) P-C4' energy: -105.909
flat angles C4'-P-C4' energy: -91.932
flat angles P-C4'-P energy: -70.896
tors. eta vs tors. theta energy: -55.271
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: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -868.816556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.816556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.816556 (E_RNA)
where:
Base-Base interactions energy: -467.830
where: short stacking energy: -220.564
Base-Backbone interact. energy: -1.513
local terms energy: -399.473852
where:
bonds (distance) C4'-P energy: -115.524
bonds (distance) P-C4' energy: -102.779
flat angles C4'-P-C4' energy: -94.280
flat angles P-C4'-P energy: -71.657
tors. eta vs tors. theta energy: -15.233
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: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2285.424233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.424233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.424233 (E_RNA)
where:
Base-Base interactions energy: -1553.159
where: short stacking energy: -674.457
Base-Backbone interact. energy: -3.587
local terms energy: -728.678753
where:
bonds (distance) C4'-P energy: -131.658
bonds (distance) P-C4' energy: -127.617
flat angles C4'-P-C4' energy: -158.726
flat angles P-C4'-P energy: -107.561
tors. eta vs tors. theta energy: -203.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2262.900660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.900660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.900660 (E_RNA)
where:
Base-Base interactions energy: -1553.979
where: short stacking energy: -672.926
Base-Backbone interact. energy: -0.800
local terms energy: -708.120882
where:
bonds (distance) C4'-P energy: -135.466
bonds (distance) P-C4' energy: -124.155
flat angles C4'-P-C4' energy: -148.144
flat angles P-C4'-P energy: -91.499
tors. eta vs tors. theta energy: -208.857
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: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2167.684987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.684987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.684987 (E_RNA)
where:
Base-Base interactions energy: -1486.304
where: short stacking energy: -636.300
Base-Backbone interact. energy: -4.583
local terms energy: -676.798492
where:
bonds (distance) C4'-P energy: -132.821
bonds (distance) P-C4' energy: -141.752
flat angles C4'-P-C4' energy: -138.694
flat angles P-C4'-P energy: -90.152
tors. eta vs tors. theta energy: -173.380
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: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2056.087490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.087490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.087490 (E_RNA)
where:
Base-Base interactions energy: -1445.365
where: short stacking energy: -594.434
Base-Backbone interact. energy: -2.710
local terms energy: -608.012275
where:
bonds (distance) C4'-P energy: -103.918
bonds (distance) P-C4' energy: -117.878
flat angles C4'-P-C4' energy: -130.928
flat angles P-C4'-P energy: -92.052
tors. eta vs tors. theta energy: -163.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1871.284367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.284367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.284367 (E_RNA)
where:
Base-Base interactions energy: -1263.254
where: short stacking energy: -553.398
Base-Backbone interact. energy: -0.903
local terms energy: -607.127013
where:
bonds (distance) C4'-P energy: -104.326
bonds (distance) P-C4' energy: -125.545
flat angles C4'-P-C4' energy: -128.169
flat angles P-C4'-P energy: -88.697
tors. eta vs tors. theta energy: -160.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1841.164417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.164417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.164417 (E_RNA)
where:
Base-Base interactions energy: -1244.324
where: short stacking energy: -536.982
Base-Backbone interact. energy: -3.523
local terms energy: -593.317509
where:
bonds (distance) C4'-P energy: -123.758
bonds (distance) P-C4' energy: -125.126
flat angles C4'-P-C4' energy: -122.113
flat angles P-C4'-P energy: -83.426
tors. eta vs tors. theta energy: -138.894
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: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1495.912177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.912177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.912177 (E_RNA)
where:
Base-Base interactions energy: -965.945
where: short stacking energy: -407.102
Base-Backbone interact. energy: 0.056
local terms energy: -530.023315
where:
bonds (distance) C4'-P energy: -123.376
bonds (distance) P-C4' energy: -131.330
flat angles C4'-P-C4' energy: -106.467
flat angles P-C4'-P energy: -72.282
tors. eta vs tors. theta energy: -96.569
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: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1256.601569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.601569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.601569 (E_RNA)
where:
Base-Base interactions energy: -772.421
where: short stacking energy: -375.414
Base-Backbone interact. energy: 0.253
local terms energy: -484.433559
where:
bonds (distance) C4'-P energy: -109.279
bonds (distance) P-C4' energy: -107.607
flat angles C4'-P-C4' energy: -125.651
flat angles P-C4'-P energy: -75.951
tors. eta vs tors. theta energy: -65.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1125.568653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.568653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.568653 (E_RNA)
where:
Base-Base interactions energy: -664.669
where: short stacking energy: -311.101
Base-Backbone interact. energy: -0.698
local terms energy: -460.202562
where:
bonds (distance) C4'-P energy: -111.885
bonds (distance) P-C4' energy: -113.780
flat angles C4'-P-C4' energy: -121.548
flat angles P-C4'-P energy: -60.636
tors. eta vs tors. theta energy: -52.353
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: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -878.898089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.898089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.898089 (E_RNA)
where:
Base-Base interactions energy: -485.937
where: short stacking energy: -269.807
Base-Backbone interact. energy: -1.748
local terms energy: -391.213112
where:
bonds (distance) C4'-P energy: -107.778
bonds (distance) P-C4' energy: -99.990
flat angles C4'-P-C4' energy: -85.685
flat angles P-C4'-P energy: -60.665
tors. eta vs tors. theta energy: -37.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2315.610164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.610164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.610164 (E_RNA)
where:
Base-Base interactions energy: -1587.367
where: short stacking energy: -688.947
Base-Backbone interact. energy: -2.173
local terms energy: -726.069928
where:
bonds (distance) C4'-P energy: -124.286
bonds (distance) P-C4' energy: -129.980
flat angles C4'-P-C4' energy: -154.450
flat angles P-C4'-P energy: -111.304
tors. eta vs tors. theta energy: -206.049
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: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2231.589031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.589031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.589031 (E_RNA)
where:
Base-Base interactions energy: -1510.950
where: short stacking energy: -669.901
Base-Backbone interact. energy: 1.210
local terms energy: -721.848841
where:
bonds (distance) C4'-P energy: -118.053
bonds (distance) P-C4' energy: -143.487
flat angles C4'-P-C4' energy: -149.457
flat angles P-C4'-P energy: -97.129
tors. eta vs tors. theta energy: -213.723
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: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2158.338362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.338362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.338362 (E_RNA)
where:
Base-Base interactions energy: -1484.063
where: short stacking energy: -655.478
Base-Backbone interact. energy: 2.640
local terms energy: -676.915732
where:
bonds (distance) C4'-P energy: -123.265
bonds (distance) P-C4' energy: -121.723
flat angles C4'-P-C4' energy: -146.507
flat angles P-C4'-P energy: -102.331
tors. eta vs tors. theta energy: -183.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2045.241284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.241284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.241284 (E_RNA)
where:
Base-Base interactions energy: -1418.365
where: short stacking energy: -591.708
Base-Backbone interact. energy: 3.384
local terms energy: -630.259901
where:
bonds (distance) C4'-P energy: -114.675
bonds (distance) P-C4' energy: -122.235
flat angles C4'-P-C4' energy: -138.707
flat angles P-C4'-P energy: -86.427
tors. eta vs tors. theta energy: -168.216
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: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1880.818705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.818705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.818705 (E_RNA)
where:
Base-Base interactions energy: -1260.065
where: short stacking energy: -558.312
Base-Backbone interact. energy: -2.818
local terms energy: -617.936209
where:
bonds (distance) C4'-P energy: -113.096
bonds (distance) P-C4' energy: -128.698
flat angles C4'-P-C4' energy: -126.958
flat angles P-C4'-P energy: -85.360
tors. eta vs tors. theta energy: -163.825
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: 409
Temperature: 1.150000
Total energy: -1788.214645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.214645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.214645 (E_RNA)
where:
Base-Base interactions energy: -1207.688
where: short stacking energy: -506.189
Base-Backbone interact. energy: -1.912
local terms energy: -578.614861
where:
bonds (distance) C4'-P energy: -121.585
bonds (distance) P-C4' energy: -126.876
flat angles C4'-P-C4' energy: -128.856
flat angles P-C4'-P energy: -66.256
tors. eta vs tors. theta energy: -135.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1561.113379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.113379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.113379 (E_RNA)
where:
Base-Base interactions energy: -1001.824
where: short stacking energy: -434.797
Base-Backbone interact. energy: 4.561
local terms energy: -563.850339
where:
bonds (distance) C4'-P energy: -123.713
bonds (distance) P-C4' energy: -122.774
flat angles C4'-P-C4' energy: -123.804
flat angles P-C4'-P energy: -75.738
tors. eta vs tors. theta energy: -117.821
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: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1256.685235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.685235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.685235 (E_RNA)
where:
Base-Base interactions energy: -801.961
where: short stacking energy: -399.387
Base-Backbone interact. energy: -1.949
local terms energy: -452.775433
where:
bonds (distance) C4'-P energy: -85.707
bonds (distance) P-C4' energy: -105.521
flat angles C4'-P-C4' energy: -90.518
flat angles P-C4'-P energy: -81.529
tors. eta vs tors. theta energy: -89.502
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: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1091.956604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.956604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.956604 (E_RNA)
where:
Base-Base interactions energy: -673.204
where: short stacking energy: -324.022
Base-Backbone interact. energy: 2.576
local terms energy: -421.328528
where:
bonds (distance) C4'-P energy: -109.835
bonds (distance) P-C4' energy: -94.772
flat angles C4'-P-C4' energy: -85.324
flat angles P-C4'-P energy: -81.606
tors. eta vs tors. theta energy: -49.791
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: 409
Temperature: 1.350000
Total energy: -836.731042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.731042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.731042 (E_RNA)
where:
Base-Base interactions energy: -485.383
where: short stacking energy: -238.264
Base-Backbone interact. energy: -3.451
local terms energy: -347.896416
where:
bonds (distance) C4'-P energy: -81.257
bonds (distance) P-C4' energy: -116.499
flat angles C4'-P-C4' energy: -97.121
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -15.748
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: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2311.997176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.997176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.997176 (E_RNA)
where:
Base-Base interactions energy: -1581.614
where: short stacking energy: -673.069
Base-Backbone interact. energy: -2.523
local terms energy: -727.860309
where:
bonds (distance) C4'-P energy: -139.916
bonds (distance) P-C4' energy: -131.820
flat angles C4'-P-C4' energy: -141.887
flat angles P-C4'-P energy: -111.165
tors. eta vs tors. theta energy: -203.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2246.435112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.435112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.435112 (E_RNA)
where:
Base-Base interactions energy: -1535.984
where: short stacking energy: -674.169
Base-Backbone interact. energy: -1.665
local terms energy: -708.785704
where:
bonds (distance) C4'-P energy: -114.287
bonds (distance) P-C4' energy: -125.514
flat angles C4'-P-C4' energy: -158.830
flat angles P-C4'-P energy: -93.136
tors. eta vs tors. theta energy: -217.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2123.990864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.990864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.990864 (E_RNA)
where:
Base-Base interactions energy: -1436.499
where: short stacking energy: -598.781
Base-Backbone interact. energy: -2.260
local terms energy: -685.231564
where:
bonds (distance) C4'-P energy: -134.614
bonds (distance) P-C4' energy: -129.912
flat angles C4'-P-C4' energy: -145.713
flat angles P-C4'-P energy: -88.610
tors. eta vs tors. theta energy: -186.381
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: 4, replica: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2066.062167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.062167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.062167 (E_RNA)
where:
Base-Base interactions energy: -1402.525
where: short stacking energy: -586.599
Base-Backbone interact. energy: -2.859
local terms energy: -660.677976
where:
bonds (distance) C4'-P energy: -123.435
bonds (distance) P-C4' energy: -132.165
flat angles C4'-P-C4' energy: -144.560
flat angles P-C4'-P energy: -90.541
tors. eta vs tors. theta energy: -169.976
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: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1892.366298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.366298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.366298 (E_RNA)
where:
Base-Base interactions energy: -1245.824
where: short stacking energy: -557.421
Base-Backbone interact. energy: -1.988
local terms energy: -644.554194
where:
bonds (distance) C4'-P energy: -125.787
bonds (distance) P-C4' energy: -109.112
flat angles C4'-P-C4' energy: -146.624
flat angles P-C4'-P energy: -93.230
tors. eta vs tors. theta energy: -169.802
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: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1781.317177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.317177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.317177 (E_RNA)
where:
Base-Base interactions energy: -1169.420
where: short stacking energy: -499.186
Base-Backbone interact. energy: 1.877
local terms energy: -613.774046
where:
bonds (distance) C4'-P energy: -124.510
bonds (distance) P-C4' energy: -117.657
flat angles C4'-P-C4' energy: -144.905
flat angles P-C4'-P energy: -79.553
tors. eta vs tors. theta energy: -147.148
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: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1631.171425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.171425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.171425 (E_RNA)
where:
Base-Base interactions energy: -1062.029
where: short stacking energy: -477.090
Base-Backbone interact. energy: -0.981
local terms energy: -568.162296
where:
bonds (distance) C4'-P energy: -120.323
bonds (distance) P-C4' energy: -118.712
flat angles C4'-P-C4' energy: -109.887
flat angles P-C4'-P energy: -88.638
tors. eta vs tors. theta energy: -130.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1295.609039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.609039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.609039 (E_RNA)
where:
Base-Base interactions energy: -830.323
where: short stacking energy: -387.731
Base-Backbone interact. energy: 1.864
local terms energy: -467.149764
where:
bonds (distance) C4'-P energy: -107.265
bonds (distance) P-C4' energy: -123.272
flat angles C4'-P-C4' energy: -109.064
flat angles P-C4'-P energy: -54.704
tors. eta vs tors. theta energy: -72.845
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: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1080.084353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.084353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.084353 (E_RNA)
where:
Base-Base interactions energy: -688.159
where: short stacking energy: -338.747
Base-Backbone interact. energy: 3.790
local terms energy: -395.715207
where:
bonds (distance) C4'-P energy: -99.780
bonds (distance) P-C4' energy: -67.992
flat angles C4'-P-C4' energy: -105.641
flat angles P-C4'-P energy: -67.056
tors. eta vs tors. theta energy: -55.246
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: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -882.344550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.344550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.344550 (E_RNA)
where:
Base-Base interactions energy: -491.952
where: short stacking energy: -258.476
Base-Backbone interact. energy: 2.890
local terms energy: -393.283088
where:
bonds (distance) C4'-P energy: -107.835
bonds (distance) P-C4' energy: -102.354
flat angles C4'-P-C4' energy: -87.052
flat angles P-C4'-P energy: -60.384
tors. eta vs tors. theta energy: -35.658
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: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2328.101209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.101209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.101209 (E_RNA)
where:
Base-Base interactions energy: -1598.606
where: short stacking energy: -695.408
Base-Backbone interact. energy: -0.019
local terms energy: -729.476002
where:
bonds (distance) C4'-P energy: -131.862
bonds (distance) P-C4' energy: -137.232
flat angles C4'-P-C4' energy: -138.571
flat angles P-C4'-P energy: -107.280
tors. eta vs tors. theta energy: -214.531
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: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2228.555920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.555920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.555920 (E_RNA)
where:
Base-Base interactions energy: -1535.262
where: short stacking energy: -630.963
Base-Backbone interact. energy: -4.159
local terms energy: -689.135140
where:
bonds (distance) C4'-P energy: -130.833
bonds (distance) P-C4' energy: -120.669
flat angles C4'-P-C4' energy: -139.330
flat angles P-C4'-P energy: -101.382
tors. eta vs tors. theta energy: -196.921
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: 411
Temperature: 1.000000
Total energy: -2134.366579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.366579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.366579 (E_RNA)
where:
Base-Base interactions energy: -1453.420
where: short stacking energy: -626.848
Base-Backbone interact. energy: 0.033
local terms energy: -680.980145
where:
bonds (distance) C4'-P energy: -126.140
bonds (distance) P-C4' energy: -129.384
flat angles C4'-P-C4' energy: -155.523
flat angles P-C4'-P energy: -96.052
tors. eta vs tors. theta energy: -173.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2070.321221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.321221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.321221 (E_RNA)
where:
Base-Base interactions energy: -1406.690
where: short stacking energy: -598.076
Base-Backbone interact. energy: -1.825
local terms energy: -661.806784
where:
bonds (distance) C4'-P energy: -123.074
bonds (distance) P-C4' energy: -123.043
flat angles C4'-P-C4' energy: -148.452
flat angles P-C4'-P energy: -91.998
tors. eta vs tors. theta energy: -175.241
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: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1884.565845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.565845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.565845 (E_RNA)
where:
Base-Base interactions energy: -1275.592
where: short stacking energy: -589.416
Base-Backbone interact. energy: 0.892
local terms energy: -609.865924
where:
bonds (distance) C4'-P energy: -123.709
bonds (distance) P-C4' energy: -94.494
flat angles C4'-P-C4' energy: -121.050
flat angles P-C4'-P energy: -89.543
tors. eta vs tors. theta energy: -181.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1689.756247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.756247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.756247 (E_RNA)
where:
Base-Base interactions energy: -1108.817
where: short stacking energy: -511.751
Base-Backbone interact. energy: 0.441
local terms energy: -581.379439
where:
bonds (distance) C4'-P energy: -100.238
bonds (distance) P-C4' energy: -128.166
flat angles C4'-P-C4' energy: -138.220
flat angles P-C4'-P energy: -78.506
tors. eta vs tors. theta energy: -136.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1711.171611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.171611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.171611 (E_RNA)
where:
Base-Base interactions energy: -1142.570
where: short stacking energy: -461.053
Base-Backbone interact. energy: -1.562
local terms energy: -567.039360
where:
bonds (distance) C4'-P energy: -126.513
bonds (distance) P-C4' energy: -108.775
flat angles C4'-P-C4' energy: -116.820
flat angles P-C4'-P energy: -93.604
tors. eta vs tors. theta energy: -121.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1281.938063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.938063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.938063 (E_RNA)
where:
Base-Base interactions energy: -819.505
where: short stacking energy: -389.956
Base-Backbone interact. energy: -0.134
local terms energy: -462.298940
where:
bonds (distance) C4'-P energy: -126.093
bonds (distance) P-C4' energy: -109.955
flat angles C4'-P-C4' energy: -83.814
flat angles P-C4'-P energy: -66.360
tors. eta vs tors. theta energy: -76.076
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: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1135.854791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.854791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.854791 (E_RNA)
where:
Base-Base interactions energy: -684.740
where: short stacking energy: -309.347
Base-Backbone interact. energy: 3.922
local terms energy: -455.036670
where:
bonds (distance) C4'-P energy: -119.637
bonds (distance) P-C4' energy: -94.280
flat angles C4'-P-C4' energy: -113.759
flat angles P-C4'-P energy: -83.612
tors. eta vs tors. theta energy: -43.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -913.349751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.349751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.349751 (E_RNA)
where:
Base-Base interactions energy: -520.767
where: short stacking energy: -267.311
Base-Backbone interact. energy: 1.186
local terms energy: -393.768600
where:
bonds (distance) C4'-P energy: -94.252
bonds (distance) P-C4' energy: -109.565
flat angles C4'-P-C4' energy: -107.879
flat angles P-C4'-P energy: -66.406
tors. eta vs tors. theta energy: -15.666
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: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2314.475059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.475059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.475059 (E_RNA)
where:
Base-Base interactions energy: -1570.302
where: short stacking energy: -674.614
Base-Backbone interact. energy: -2.348
local terms energy: -741.825435
where:
bonds (distance) C4'-P energy: -142.713
bonds (distance) P-C4' energy: -132.815
flat angles C4'-P-C4' energy: -149.144
flat angles P-C4'-P energy: -108.951
tors. eta vs tors. theta energy: -208.202
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: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2247.951053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.951053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.951053 (E_RNA)
where:
Base-Base interactions energy: -1524.591
where: short stacking energy: -661.037
Base-Backbone interact. energy: 1.038
local terms energy: -724.397723
where:
bonds (distance) C4'-P energy: -123.349
bonds (distance) P-C4' energy: -127.329
flat angles C4'-P-C4' energy: -147.424
flat angles P-C4'-P energy: -119.317
tors. eta vs tors. theta energy: -206.978
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: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2125.506241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.506241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.506241 (E_RNA)
where:
Base-Base interactions energy: -1451.148
where: short stacking energy: -644.874
Base-Backbone interact. energy: -2.427
local terms energy: -671.931032
where:
bonds (distance) C4'-P energy: -106.235
bonds (distance) P-C4' energy: -138.017
flat angles C4'-P-C4' energy: -147.809
flat angles P-C4'-P energy: -94.840
tors. eta vs tors. theta energy: -185.029
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: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2016.715200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.715200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.715200 (E_RNA)
where:
Base-Base interactions energy: -1390.861
where: short stacking energy: -584.914
Base-Backbone interact. energy: -1.515
local terms energy: -624.339268
where:
bonds (distance) C4'-P energy: -130.666
bonds (distance) P-C4' energy: -130.266
flat angles C4'-P-C4' energy: -130.711
flat angles P-C4'-P energy: -78.633
tors. eta vs tors. theta energy: -154.064
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: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1837.837201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.837201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.837201 (E_RNA)
where:
Base-Base interactions energy: -1213.141
where: short stacking energy: -541.184
Base-Backbone interact. energy: 1.843
local terms energy: -626.539447
where:
bonds (distance) C4'-P energy: -120.737
bonds (distance) P-C4' energy: -116.959
flat angles C4'-P-C4' energy: -143.128
flat angles P-C4'-P energy: -87.873
tors. eta vs tors. theta energy: -157.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1641.104605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.104605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.104605 (E_RNA)
where:
Base-Base interactions energy: -1091.715
where: short stacking energy: -469.907
Base-Backbone interact. energy: 0.089
local terms energy: -549.478478
where:
bonds (distance) C4'-P energy: -112.965
bonds (distance) P-C4' energy: -117.025
flat angles C4'-P-C4' energy: -122.798
flat angles P-C4'-P energy: -81.203
tors. eta vs tors. theta energy: -115.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1642.238227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.238227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.238227 (E_RNA)
where:
Base-Base interactions energy: -1095.275
where: short stacking energy: -466.334
Base-Backbone interact. energy: -0.476
local terms energy: -546.487413
where:
bonds (distance) C4'-P energy: -105.613
bonds (distance) P-C4' energy: -113.521
flat angles C4'-P-C4' energy: -133.480
flat angles P-C4'-P energy: -63.994
tors. eta vs tors. theta energy: -129.879
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: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1264.762932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.762932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.762932 (E_RNA)
where:
Base-Base interactions energy: -790.840
where: short stacking energy: -351.377
Base-Backbone interact. energy: 0.721
local terms energy: -474.644076
where:
bonds (distance) C4'-P energy: -118.530
bonds (distance) P-C4' energy: -110.337
flat angles C4'-P-C4' energy: -111.531
flat angles P-C4'-P energy: -75.794
tors. eta vs tors. theta energy: -58.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1117.951414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.951414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.951414 (E_RNA)
where:
Base-Base interactions energy: -701.106
where: short stacking energy: -339.394
Base-Backbone interact. energy: 0.575
local terms energy: -417.420774
where:
bonds (distance) C4'-P energy: -92.881
bonds (distance) P-C4' energy: -117.510
flat angles C4'-P-C4' energy: -106.765
flat angles P-C4'-P energy: -55.326
tors. eta vs tors. theta energy: -44.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -867.810787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.810787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.810787 (E_RNA)
where:
Base-Base interactions energy: -500.881
where: short stacking energy: -247.348
Base-Backbone interact. energy: 3.430
local terms energy: -370.360431
where:
bonds (distance) C4'-P energy: -104.614
bonds (distance) P-C4' energy: -117.045
flat angles C4'-P-C4' energy: -99.136
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2343.271158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.271158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.271158 (E_RNA)
where:
Base-Base interactions energy: -1606.252
where: short stacking energy: -691.640
Base-Backbone interact. energy: -2.330
local terms energy: -734.688961
where:
bonds (distance) C4'-P energy: -139.014
bonds (distance) P-C4' energy: -127.525
flat angles C4'-P-C4' energy: -152.806
flat angles P-C4'-P energy: -107.842
tors. eta vs tors. theta energy: -207.501
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: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2259.843551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.843551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.843551 (E_RNA)
where:
Base-Base interactions energy: -1543.013
where: short stacking energy: -683.285
Base-Backbone interact. energy: -5.611
local terms energy: -711.219892
where:
bonds (distance) C4'-P energy: -128.645
bonds (distance) P-C4' energy: -139.756
flat angles C4'-P-C4' energy: -145.864
flat angles P-C4'-P energy: -86.463
tors. eta vs tors. theta energy: -210.492
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: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2122.829548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.829548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.829548 (E_RNA)
where:
Base-Base interactions energy: -1450.516
where: short stacking energy: -635.890
Base-Backbone interact. energy: -1.580
local terms energy: -670.733498
where:
bonds (distance) C4'-P energy: -130.457
bonds (distance) P-C4' energy: -113.818
flat angles C4'-P-C4' energy: -143.450
flat angles P-C4'-P energy: -101.050
tors. eta vs tors. theta energy: -181.959
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: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2043.470395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.470395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.470395 (E_RNA)
where:
Base-Base interactions energy: -1403.052
where: short stacking energy: -611.191
Base-Backbone interact. energy: -0.582
local terms energy: -639.836328
where:
bonds (distance) C4'-P energy: -108.416
bonds (distance) P-C4' energy: -130.813
flat angles C4'-P-C4' energy: -138.632
flat angles P-C4'-P energy: -90.312
tors. eta vs tors. theta energy: -171.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1838.490427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.490427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.490427 (E_RNA)
where:
Base-Base interactions energy: -1230.093
where: short stacking energy: -524.556
Base-Backbone interact. energy: -2.787
local terms energy: -605.610377
where:
bonds (distance) C4'-P energy: -127.582
bonds (distance) P-C4' energy: -128.411
flat angles C4'-P-C4' energy: -129.513
flat angles P-C4'-P energy: -74.945
tors. eta vs tors. theta energy: -145.159
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: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1709.561067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.561067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.561067 (E_RNA)
where:
Base-Base interactions energy: -1163.905
where: short stacking energy: -478.923
Base-Backbone interact. energy: -0.900
local terms energy: -544.755985
where:
bonds (distance) C4'-P energy: -98.542
bonds (distance) P-C4' energy: -121.718
flat angles C4'-P-C4' energy: -124.927
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: -128.523
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: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1596.147788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.147788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.147788 (E_RNA)
where:
Base-Base interactions energy: -1063.955
where: short stacking energy: -451.678
Base-Backbone interact. energy: 3.896
local terms energy: -536.089346
where:
bonds (distance) C4'-P energy: -109.312
bonds (distance) P-C4' energy: -119.386
flat angles C4'-P-C4' energy: -129.432
flat angles P-C4'-P energy: -64.610
tors. eta vs tors. theta energy: -113.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1243.097592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.097592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.097592 (E_RNA)
where:
Base-Base interactions energy: -762.271
where: short stacking energy: -362.737
Base-Backbone interact. energy: 0.387
local terms energy: -481.214015
where:
bonds (distance) C4'-P energy: -115.840
bonds (distance) P-C4' energy: -119.039
flat angles C4'-P-C4' energy: -110.176
flat angles P-C4'-P energy: -65.022
tors. eta vs tors. theta energy: -71.137
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: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1054.425195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.425195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.425195 (E_RNA)
where:
Base-Base interactions energy: -646.464
where: short stacking energy: -299.411
Base-Backbone interact. energy: 1.271
local terms energy: -409.231760
where:
bonds (distance) C4'-P energy: -102.057
bonds (distance) P-C4' energy: -108.592
flat angles C4'-P-C4' energy: -110.495
flat angles P-C4'-P energy: -59.210
tors. eta vs tors. theta energy: -28.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -871.119421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.119421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.119421 (E_RNA)
where:
Base-Base interactions energy: -486.622
where: short stacking energy: -264.441
Base-Backbone interact. energy: -0.623
local terms energy: -383.875196
where:
bonds (distance) C4'-P energy: -93.451
bonds (distance) P-C4' energy: -108.088
flat angles C4'-P-C4' energy: -96.221
flat angles P-C4'-P energy: -54.157
tors. eta vs tors. theta energy: -31.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2313.974322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.974322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.974322 (E_RNA)
where:
Base-Base interactions energy: -1586.302
where: short stacking energy: -656.489
Base-Backbone interact. energy: -1.055
local terms energy: -726.617487
where:
bonds (distance) C4'-P energy: -134.969
bonds (distance) P-C4' energy: -143.364
flat angles C4'-P-C4' energy: -147.819
flat angles P-C4'-P energy: -94.581
tors. eta vs tors. theta energy: -205.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2266.944090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.944090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.944090 (E_RNA)
where:
Base-Base interactions energy: -1539.505
where: short stacking energy: -670.180
Base-Backbone interact. energy: -3.847
local terms energy: -723.592055
where:
bonds (distance) C4'-P energy: -131.272
bonds (distance) P-C4' energy: -144.026
flat angles C4'-P-C4' energy: -154.455
flat angles P-C4'-P energy: -92.164
tors. eta vs tors. theta energy: -201.675
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: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2126.596173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.596173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.596173 (E_RNA)
where:
Base-Base interactions energy: -1423.569
where: short stacking energy: -634.506
Base-Backbone interact. energy: -2.384
local terms energy: -700.642714
where:
bonds (distance) C4'-P energy: -130.700
bonds (distance) P-C4' energy: -127.956
flat angles C4'-P-C4' energy: -142.619
flat angles P-C4'-P energy: -104.621
tors. eta vs tors. theta energy: -194.747
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: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2056.001482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.001482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.001482 (E_RNA)
where:
Base-Base interactions energy: -1403.151
where: short stacking energy: -577.451
Base-Backbone interact. energy: -1.720
local terms energy: -651.130527
where:
bonds (distance) C4'-P energy: -114.006
bonds (distance) P-C4' energy: -123.755
flat angles C4'-P-C4' energy: -143.918
flat angles P-C4'-P energy: -100.859
tors. eta vs tors. theta energy: -168.592
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: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1881.524192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.524192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.524192 (E_RNA)
where:
Base-Base interactions energy: -1284.044
where: short stacking energy: -557.432
Base-Backbone interact. energy: -1.971
local terms energy: -595.509145
where:
bonds (distance) C4'-P energy: -109.146
bonds (distance) P-C4' energy: -114.534
flat angles C4'-P-C4' energy: -123.695
flat angles P-C4'-P energy: -98.127
tors. eta vs tors. theta energy: -150.007
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: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1744.201273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.201273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.201273 (E_RNA)
where:
Base-Base interactions energy: -1162.710
where: short stacking energy: -487.353
Base-Backbone interact. energy: 0.379
local terms energy: -581.870804
where:
bonds (distance) C4'-P energy: -128.025
bonds (distance) P-C4' energy: -119.579
flat angles C4'-P-C4' energy: -128.430
flat angles P-C4'-P energy: -84.320
tors. eta vs tors. theta energy: -121.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1645.184372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.184372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.184372 (E_RNA)
where:
Base-Base interactions energy: -1096.035
where: short stacking energy: -494.084
Base-Backbone interact. energy: -4.015
local terms energy: -545.134973
where:
bonds (distance) C4'-P energy: -78.672
bonds (distance) P-C4' energy: -126.618
flat angles C4'-P-C4' energy: -120.640
flat angles P-C4'-P energy: -78.980
tors. eta vs tors. theta energy: -140.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1339.977075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.977075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.977075 (E_RNA)
where:
Base-Base interactions energy: -817.988
where: short stacking energy: -386.071
Base-Backbone interact. energy: 0.109
local terms energy: -522.097805
where:
bonds (distance) C4'-P energy: -100.981
bonds (distance) P-C4' energy: -125.684
flat angles C4'-P-C4' energy: -113.055
flat angles P-C4'-P energy: -93.944
tors. eta vs tors. theta energy: -88.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1048.518547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.518547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.518547 (E_RNA)
where:
Base-Base interactions energy: -613.719
where: short stacking energy: -294.487
Base-Backbone interact. energy: -1.616
local terms energy: -433.183434
where:
bonds (distance) C4'-P energy: -98.501
bonds (distance) P-C4' energy: -112.790
flat angles C4'-P-C4' energy: -111.469
flat angles P-C4'-P energy: -74.305
tors. eta vs tors. theta energy: -36.119
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: 414
Temperature: 1.350000
Total energy: -868.425120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.425120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.425120 (E_RNA)
where:
Base-Base interactions energy: -482.168
where: short stacking energy: -241.659
Base-Backbone interact. energy: 4.753
local terms energy: -391.009769
where:
bonds (distance) C4'-P energy: -105.775
bonds (distance) P-C4' energy: -100.509
flat angles C4'-P-C4' energy: -106.837
flat angles P-C4'-P energy: -54.651
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2327.656543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.656543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.656543 (E_RNA)
where:
Base-Base interactions energy: -1613.455
where: short stacking energy: -688.779
Base-Backbone interact. energy: 0.579
local terms energy: -714.780059
where:
bonds (distance) C4'-P energy: -129.124
bonds (distance) P-C4' energy: -140.141
flat angles C4'-P-C4' energy: -147.525
flat angles P-C4'-P energy: -91.836
tors. eta vs tors. theta energy: -206.154
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: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2251.545886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.545886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.545886 (E_RNA)
where:
Base-Base interactions energy: -1554.172
where: short stacking energy: -675.584
Base-Backbone interact. energy: -1.939
local terms energy: -695.435636
where:
bonds (distance) C4'-P energy: -125.344
bonds (distance) P-C4' energy: -132.355
flat angles C4'-P-C4' energy: -142.510
flat angles P-C4'-P energy: -95.691
tors. eta vs tors. theta energy: -199.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2116.469152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.469152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.469152 (E_RNA)
where:
Base-Base interactions energy: -1424.461
where: short stacking energy: -610.410
Base-Backbone interact. energy: -0.453
local terms energy: -691.555230
where:
bonds (distance) C4'-P energy: -122.330
bonds (distance) P-C4' energy: -139.067
flat angles C4'-P-C4' energy: -147.096
flat angles P-C4'-P energy: -98.270
tors. eta vs tors. theta energy: -184.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2049.678403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.678403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.678403 (E_RNA)
where:
Base-Base interactions energy: -1390.812
where: short stacking energy: -598.418
Base-Backbone interact. energy: -1.824
local terms energy: -657.042313
where:
bonds (distance) C4'-P energy: -140.418
bonds (distance) P-C4' energy: -115.072
flat angles C4'-P-C4' energy: -135.375
flat angles P-C4'-P energy: -80.723
tors. eta vs tors. theta energy: -185.455
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: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1873.760242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.760242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.760242 (E_RNA)
where:
Base-Base interactions energy: -1248.815
where: short stacking energy: -542.786
Base-Backbone interact. energy: -0.930
local terms energy: -624.015328
where:
bonds (distance) C4'-P energy: -107.610
bonds (distance) P-C4' energy: -122.443
flat angles C4'-P-C4' energy: -135.608
flat angles P-C4'-P energy: -99.357
tors. eta vs tors. theta energy: -158.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1820.354203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.354203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.354203 (E_RNA)
where:
Base-Base interactions energy: -1232.013
where: short stacking energy: -490.321
Base-Backbone interact. energy: 2.234
local terms energy: -590.574467
where:
bonds (distance) C4'-P energy: -104.895
bonds (distance) P-C4' energy: -128.501
flat angles C4'-P-C4' energy: -135.042
flat angles P-C4'-P energy: -83.296
tors. eta vs tors. theta energy: -138.840
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: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1604.440018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.440018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.440018 (E_RNA)
where:
Base-Base interactions energy: -1073.317
where: short stacking energy: -478.427
Base-Backbone interact. energy: -3.509
local terms energy: -527.613673
where:
bonds (distance) C4'-P energy: -107.879
bonds (distance) P-C4' energy: -97.012
flat angles C4'-P-C4' energy: -126.781
flat angles P-C4'-P energy: -68.220
tors. eta vs tors. theta energy: -127.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1303.964472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.964472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.964472 (E_RNA)
where:
Base-Base interactions energy: -842.373
where: short stacking energy: -371.104
Base-Backbone interact. energy: -2.036
local terms energy: -459.555640
where:
bonds (distance) C4'-P energy: -96.152
bonds (distance) P-C4' energy: -121.132
flat angles C4'-P-C4' energy: -100.708
flat angles P-C4'-P energy: -60.722
tors. eta vs tors. theta energy: -80.842
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: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1092.538218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.538218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.538218 (E_RNA)
where:
Base-Base interactions energy: -651.755
where: short stacking energy: -313.388
Base-Backbone interact. energy: 4.109
local terms energy: -444.892218
where:
bonds (distance) C4'-P energy: -122.011
bonds (distance) P-C4' energy: -108.160
flat angles C4'-P-C4' energy: -104.746
flat angles P-C4'-P energy: -70.545
tors. eta vs tors. theta energy: -39.431
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: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -846.557040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.557040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.557040 (E_RNA)
where:
Base-Base interactions energy: -502.693
where: short stacking energy: -254.804
Base-Backbone interact. energy: 3.786
local terms energy: -347.650373
where:
bonds (distance) C4'-P energy: -106.227
bonds (distance) P-C4' energy: -87.677
flat angles C4'-P-C4' energy: -77.194
flat angles P-C4'-P energy: -58.868
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: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2306.853431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.853431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.853431 (E_RNA)
where:
Base-Base interactions energy: -1576.096
where: short stacking energy: -681.605
Base-Backbone interact. energy: -1.788
local terms energy: -728.969316
where:
bonds (distance) C4'-P energy: -130.707
bonds (distance) P-C4' energy: -140.509
flat angles C4'-P-C4' energy: -156.938
flat angles P-C4'-P energy: -93.492
tors. eta vs tors. theta energy: -207.323
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: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2264.220474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.220474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.220474 (E_RNA)
where:
Base-Base interactions energy: -1549.825
where: short stacking energy: -670.476
Base-Backbone interact. energy: 0.230
local terms energy: -714.625485
where:
bonds (distance) C4'-P energy: -120.281
bonds (distance) P-C4' energy: -126.434
flat angles C4'-P-C4' energy: -153.030
flat angles P-C4'-P energy: -100.739
tors. eta vs tors. theta energy: -214.141
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: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2103.389793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.389793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.389793 (E_RNA)
where:
Base-Base interactions energy: -1408.390
where: short stacking energy: -622.740
Base-Backbone interact. energy: 1.479
local terms energy: -696.478210
where:
bonds (distance) C4'-P energy: -131.351
bonds (distance) P-C4' energy: -122.233
flat angles C4'-P-C4' energy: -152.743
flat angles P-C4'-P energy: -101.017
tors. eta vs tors. theta energy: -189.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2077.322868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.322868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.322868 (E_RNA)
where:
Base-Base interactions energy: -1419.671
where: short stacking energy: -603.924
Base-Backbone interact. energy: -0.316
local terms energy: -657.335804
where:
bonds (distance) C4'-P energy: -117.473
bonds (distance) P-C4' energy: -118.449
flat angles C4'-P-C4' energy: -150.358
flat angles P-C4'-P energy: -98.129
tors. eta vs tors. theta energy: -172.926
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: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1917.425961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.425961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.425961 (E_RNA)
where:
Base-Base interactions energy: -1277.166
where: short stacking energy: -571.131
Base-Backbone interact. energy: 2.210
local terms energy: -642.470039
where:
bonds (distance) C4'-P energy: -110.695
bonds (distance) P-C4' energy: -119.468
flat angles C4'-P-C4' energy: -148.579
flat angles P-C4'-P energy: -101.159
tors. eta vs tors. theta energy: -162.569
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1679.414291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.414291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.414291 (E_RNA)
where:
Base-Base interactions energy: -1130.835
where: short stacking energy: -473.295
Base-Backbone interact. energy: -0.522
local terms energy: -548.057444
where:
bonds (distance) C4'-P energy: -107.887
bonds (distance) P-C4' energy: -123.720
flat angles C4'-P-C4' energy: -125.530
flat angles P-C4'-P energy: -81.386
tors. eta vs tors. theta energy: -109.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1621.377038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.377038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.377038 (E_RNA)
where:
Base-Base interactions energy: -1076.999
where: short stacking energy: -472.237
Base-Backbone interact. energy: -3.418
local terms energy: -540.960367
where:
bonds (distance) C4'-P energy: -121.102
bonds (distance) P-C4' energy: -107.101
flat angles C4'-P-C4' energy: -114.627
flat angles P-C4'-P energy: -81.277
tors. eta vs tors. theta energy: -116.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1353.720753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.720753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.720753 (E_RNA)
where:
Base-Base interactions energy: -861.141
where: short stacking energy: -404.667
Base-Backbone interact. energy: -0.950
local terms energy: -491.629235
where:
bonds (distance) C4'-P energy: -96.453
bonds (distance) P-C4' energy: -112.834
flat angles C4'-P-C4' energy: -122.557
flat angles P-C4'-P energy: -81.867
tors. eta vs tors. theta energy: -77.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1076.860066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.860066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.860066 (E_RNA)
where:
Base-Base interactions energy: -631.312
where: short stacking energy: -314.311
Base-Backbone interact. energy: 2.275
local terms energy: -447.823663
where:
bonds (distance) C4'-P energy: -107.888
bonds (distance) P-C4' energy: -117.653
flat angles C4'-P-C4' energy: -109.735
flat angles P-C4'-P energy: -60.049
tors. eta vs tors. theta energy: -52.499
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -892.555890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.555890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.555890 (E_RNA)
where:
Base-Base interactions energy: -507.041
where: short stacking energy: -267.636
Base-Backbone interact. energy: -0.462
local terms energy: -385.052394
where:
bonds (distance) C4'-P energy: -97.212
bonds (distance) P-C4' energy: -96.202
flat angles C4'-P-C4' energy: -102.938
flat angles P-C4'-P energy: -54.681
tors. eta vs tors. theta energy: -34.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2334.900604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.900604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.900604 (E_RNA)
where:
Base-Base interactions energy: -1606.626
where: short stacking energy: -692.441
Base-Backbone interact. energy: 0.223
local terms energy: -728.497524
where:
bonds (distance) C4'-P energy: -130.706
bonds (distance) P-C4' energy: -132.963
flat angles C4'-P-C4' energy: -154.983
flat angles P-C4'-P energy: -110.982
tors. eta vs tors. theta energy: -198.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2237.195711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.195711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.195711 (E_RNA)
where:
Base-Base interactions energy: -1525.588
where: short stacking energy: -661.393
Base-Backbone interact. energy: -1.051
local terms energy: -710.556018
where:
bonds (distance) C4'-P energy: -127.461
bonds (distance) P-C4' energy: -119.073
flat angles C4'-P-C4' energy: -152.264
flat angles P-C4'-P energy: -109.179
tors. eta vs tors. theta energy: -202.579
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: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2126.033368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.033368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.033368 (E_RNA)
where:
Base-Base interactions energy: -1450.802
where: short stacking energy: -633.517
Base-Backbone interact. energy: -3.168
local terms energy: -672.063399
where:
bonds (distance) C4'-P energy: -137.151
bonds (distance) P-C4' energy: -122.879
flat angles C4'-P-C4' energy: -142.601
flat angles P-C4'-P energy: -91.897
tors. eta vs tors. theta energy: -177.534
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: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2058.880788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.880788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.880788 (E_RNA)
where:
Base-Base interactions energy: -1426.440
where: short stacking energy: -611.840
Base-Backbone interact. energy: -1.063
local terms energy: -631.377596
where:
bonds (distance) C4'-P energy: -127.058
bonds (distance) P-C4' energy: -108.832
flat angles C4'-P-C4' energy: -133.350
flat angles P-C4'-P energy: -82.899
tors. eta vs tors. theta energy: -179.238
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: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1916.529770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.529770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.529770 (E_RNA)
where:
Base-Base interactions energy: -1293.058
where: short stacking energy: -558.670
Base-Backbone interact. energy: -0.283
local terms energy: -623.189472
where:
bonds (distance) C4'-P energy: -120.127
bonds (distance) P-C4' energy: -123.571
flat angles C4'-P-C4' energy: -131.372
flat angles P-C4'-P energy: -75.056
tors. eta vs tors. theta energy: -173.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1675.527479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.527479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.527479 (E_RNA)
where:
Base-Base interactions energy: -1111.995
where: short stacking energy: -497.494
Base-Backbone interact. energy: -0.456
local terms energy: -563.076989
where:
bonds (distance) C4'-P energy: -111.466
bonds (distance) P-C4' energy: -113.457
flat angles C4'-P-C4' energy: -124.311
flat angles P-C4'-P energy: -80.196
tors. eta vs tors. theta energy: -133.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1607.450453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.450453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.450453 (E_RNA)
where:
Base-Base interactions energy: -1076.157
where: short stacking energy: -459.766
Base-Backbone interact. energy: -2.552
local terms energy: -528.740767
where:
bonds (distance) C4'-P energy: -96.529
bonds (distance) P-C4' energy: -106.027
flat angles C4'-P-C4' energy: -118.128
flat angles P-C4'-P energy: -92.891
tors. eta vs tors. theta energy: -115.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1156.526061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.526061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.526061 (E_RNA)
where:
Base-Base interactions energy: -676.199
where: short stacking energy: -317.976
Base-Backbone interact. energy: -0.913
local terms energy: -479.413770
where:
bonds (distance) C4'-P energy: -124.938
bonds (distance) P-C4' energy: -118.374
flat angles C4'-P-C4' energy: -110.444
flat angles P-C4'-P energy: -73.436
tors. eta vs tors. theta energy: -52.222
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: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1301.267706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.267706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.267706 (E_RNA)
where:
Base-Base interactions energy: -830.872
where: short stacking energy: -391.814
Base-Backbone interact. energy: -0.525
local terms energy: -469.870901
where:
bonds (distance) C4'-P energy: -96.884
bonds (distance) P-C4' energy: -97.934
flat angles C4'-P-C4' energy: -125.202
flat angles P-C4'-P energy: -68.583
tors. eta vs tors. theta energy: -81.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -859.422808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.422808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.422808 (E_RNA)
where:
Base-Base interactions energy: -472.366
where: short stacking energy: -250.319
Base-Backbone interact. energy: -0.964
local terms energy: -386.093040
where:
bonds (distance) C4'-P energy: -75.349
bonds (distance) P-C4' energy: -112.949
flat angles C4'-P-C4' energy: -118.367
flat angles P-C4'-P energy: -52.404
tors. eta vs tors. theta energy: -27.025
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: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2335.036314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.036314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.036314 (E_RNA)
where:
Base-Base interactions energy: -1585.096
where: short stacking energy: -689.469
Base-Backbone interact. energy: -1.156
local terms energy: -748.784849
where:
bonds (distance) C4'-P energy: -132.122
bonds (distance) P-C4' energy: -137.416
flat angles C4'-P-C4' energy: -159.023
flat angles P-C4'-P energy: -106.942
tors. eta vs tors. theta energy: -213.281
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: 418
Temperature: 0.950000
Total energy: -2261.051356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.051356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.051356 (E_RNA)
where:
Base-Base interactions energy: -1545.041
where: short stacking energy: -670.861
Base-Backbone interact. energy: -2.994
local terms energy: -713.016793
where:
bonds (distance) C4'-P energy: -130.635
bonds (distance) P-C4' energy: -124.731
flat angles C4'-P-C4' energy: -152.217
flat angles P-C4'-P energy: -104.630
tors. eta vs tors. theta energy: -200.804
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: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2156.886118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.886118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.886118 (E_RNA)
where:
Base-Base interactions energy: -1495.992
where: short stacking energy: -650.608
Base-Backbone interact. energy: -4.101
local terms energy: -656.792806
where:
bonds (distance) C4'-P energy: -128.551
bonds (distance) P-C4' energy: -125.577
flat angles C4'-P-C4' energy: -135.286
flat angles P-C4'-P energy: -83.474
tors. eta vs tors. theta energy: -183.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2095.336014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.336014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.336014 (E_RNA)
where:
Base-Base interactions energy: -1467.812
where: short stacking energy: -621.188
Base-Backbone interact. energy: 1.147
local terms energy: -628.670931
where:
bonds (distance) C4'-P energy: -105.770
bonds (distance) P-C4' energy: -120.920
flat angles C4'-P-C4' energy: -137.225
flat angles P-C4'-P energy: -84.521
tors. eta vs tors. theta energy: -180.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1924.732622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.732622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.732622 (E_RNA)
where:
Base-Base interactions energy: -1302.959
where: short stacking energy: -585.060
Base-Backbone interact. energy: -0.637
local terms energy: -621.136386
where:
bonds (distance) C4'-P energy: -105.920
bonds (distance) P-C4' energy: -119.275
flat angles C4'-P-C4' energy: -132.779
flat angles P-C4'-P energy: -80.167
tors. eta vs tors. theta energy: -182.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1691.911017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.911017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.911017 (E_RNA)
where:
Base-Base interactions energy: -1128.935
where: short stacking energy: -498.973
Base-Backbone interact. energy: -4.036
local terms energy: -558.940609
where:
bonds (distance) C4'-P energy: -126.821
bonds (distance) P-C4' energy: -112.292
flat angles C4'-P-C4' energy: -124.022
flat angles P-C4'-P energy: -70.672
tors. eta vs tors. theta energy: -125.133
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1628.413259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.413259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.413259 (E_RNA)
where:
Base-Base interactions energy: -1076.291
where: short stacking energy: -487.746
Base-Backbone interact. energy: -2.617
local terms energy: -549.504898
where:
bonds (distance) C4'-P energy: -107.794
bonds (distance) P-C4' energy: -111.065
flat angles C4'-P-C4' energy: -134.726
flat angles P-C4'-P energy: -67.141
tors. eta vs tors. theta energy: -128.779
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: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1186.453065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.453065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.453065 (E_RNA)
where:
Base-Base interactions energy: -713.233
where: short stacking energy: -318.216
Base-Backbone interact. energy: 0.502
local terms energy: -473.722099
where:
bonds (distance) C4'-P energy: -109.956
bonds (distance) P-C4' energy: -119.779
flat angles C4'-P-C4' energy: -122.768
flat angles P-C4'-P energy: -69.637
tors. eta vs tors. theta energy: -51.582
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: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1236.917774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.917774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.917774 (E_RNA)
where:
Base-Base interactions energy: -799.998
where: short stacking energy: -358.652
Base-Backbone interact. energy: 0.453
local terms energy: -437.372898
where:
bonds (distance) C4'-P energy: -102.295
bonds (distance) P-C4' energy: -93.571
flat angles C4'-P-C4' energy: -105.248
flat angles P-C4'-P energy: -65.896
tors. eta vs tors. theta energy: -70.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -897.859522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.859522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.859522 (E_RNA)
where:
Base-Base interactions energy: -529.919
where: short stacking energy: -270.266
Base-Backbone interact. energy: 0.381
local terms energy: -368.321110
where:
bonds (distance) C4'-P energy: -113.510
bonds (distance) P-C4' energy: -81.075
flat angles C4'-P-C4' energy: -104.998
flat angles P-C4'-P energy: -49.182
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2346.574707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.574707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.574707 (E_RNA)
where:
Base-Base interactions energy: -1599.789
where: short stacking energy: -715.264
Base-Backbone interact. energy: -1.576
local terms energy: -745.209163
where:
bonds (distance) C4'-P energy: -148.233
bonds (distance) P-C4' energy: -130.917
flat angles C4'-P-C4' energy: -150.512
flat angles P-C4'-P energy: -100.944
tors. eta vs tors. theta energy: -214.603
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: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2256.961433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.961433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.961433 (E_RNA)
where:
Base-Base interactions energy: -1536.290
where: short stacking energy: -673.434
Base-Backbone interact. energy: -0.779
local terms energy: -719.892413
where:
bonds (distance) C4'-P energy: -117.301
bonds (distance) P-C4' energy: -141.545
flat angles C4'-P-C4' energy: -158.464
flat angles P-C4'-P energy: -98.293
tors. eta vs tors. theta energy: -204.290
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: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2144.532048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.532048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.532048 (E_RNA)
where:
Base-Base interactions energy: -1441.841
where: short stacking energy: -632.228
Base-Backbone interact. energy: -3.250
local terms energy: -699.440748
where:
bonds (distance) C4'-P energy: -113.105
bonds (distance) P-C4' energy: -137.199
flat angles C4'-P-C4' energy: -150.910
flat angles P-C4'-P energy: -101.793
tors. eta vs tors. theta energy: -196.433
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: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2063.394339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.394339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.394339 (E_RNA)
where:
Base-Base interactions energy: -1422.898
where: short stacking energy: -601.371
Base-Backbone interact. energy: 1.261
local terms energy: -641.756822
where:
bonds (distance) C4'-P energy: -113.751
bonds (distance) P-C4' energy: -115.767
flat angles C4'-P-C4' energy: -143.672
flat angles P-C4'-P energy: -93.443
tors. eta vs tors. theta energy: -175.124
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: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1907.462019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.462019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.462019 (E_RNA)
where:
Base-Base interactions energy: -1253.675
where: short stacking energy: -581.498
Base-Backbone interact. energy: -0.057
local terms energy: -653.730330
where:
bonds (distance) C4'-P energy: -125.363
bonds (distance) P-C4' energy: -123.976
flat angles C4'-P-C4' energy: -136.425
flat angles P-C4'-P energy: -89.133
tors. eta vs tors. theta energy: -178.834
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: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1653.617052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.617052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.617052 (E_RNA)
where:
Base-Base interactions energy: -1117.539
where: short stacking energy: -475.402
Base-Backbone interact. energy: -0.056
local terms energy: -536.022638
where:
bonds (distance) C4'-P energy: -87.549
bonds (distance) P-C4' energy: -116.926
flat angles C4'-P-C4' energy: -125.533
flat angles P-C4'-P energy: -76.909
tors. eta vs tors. theta energy: -129.106
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: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1595.491490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.491490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.491490 (E_RNA)
where:
Base-Base interactions energy: -1042.693
where: short stacking energy: -452.856
Base-Backbone interact. energy: -3.530
local terms energy: -549.267792
where:
bonds (distance) C4'-P energy: -116.098
bonds (distance) P-C4' energy: -127.765
flat angles C4'-P-C4' energy: -127.615
flat angles P-C4'-P energy: -61.321
tors. eta vs tors. theta energy: -116.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1267.809378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.809378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.809378 (E_RNA)
where:
Base-Base interactions energy: -794.549
where: short stacking energy: -346.717
Base-Backbone interact. energy: -0.049
local terms energy: -473.211064
where:
bonds (distance) C4'-P energy: -120.266
bonds (distance) P-C4' energy: -112.866
flat angles C4'-P-C4' energy: -87.332
flat angles P-C4'-P energy: -82.977
tors. eta vs tors. theta energy: -69.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1177.074638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.074638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.074638 (E_RNA)
where:
Base-Base interactions energy: -737.083
where: short stacking energy: -354.588
Base-Backbone interact. energy: -1.566
local terms energy: -438.426238
where:
bonds (distance) C4'-P energy: -101.774
bonds (distance) P-C4' energy: -98.262
flat angles C4'-P-C4' energy: -106.125
flat angles P-C4'-P energy: -72.462
tors. eta vs tors. theta energy: -59.802
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: 419
Temperature: 1.350000
Total energy: -894.020960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.020960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.020960 (E_RNA)
where:
Base-Base interactions energy: -525.892
where: short stacking energy: -262.469
Base-Backbone interact. energy: 7.802
local terms energy: -375.931066
where:
bonds (distance) C4'-P energy: -84.985
bonds (distance) P-C4' energy: -106.566
flat angles C4'-P-C4' energy: -103.905
flat angles P-C4'-P energy: -67.094
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2322.646169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.646169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.646169 (E_RNA)
where:
Base-Base interactions energy: -1583.964
where: short stacking energy: -682.038
Base-Backbone interact. energy: -2.751
local terms energy: -735.931775
where:
bonds (distance) C4'-P energy: -127.876
bonds (distance) P-C4' energy: -133.350
flat angles C4'-P-C4' energy: -153.101
flat angles P-C4'-P energy: -99.867
tors. eta vs tors. theta energy: -221.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2233.114140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.114140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.114140 (E_RNA)
where:
Base-Base interactions energy: -1542.121
where: short stacking energy: -667.837
Base-Backbone interact. energy: -5.025
local terms energy: -685.968989
where:
bonds (distance) C4'-P energy: -117.802
bonds (distance) P-C4' energy: -128.784
flat angles C4'-P-C4' energy: -143.962
flat angles P-C4'-P energy: -93.111
tors. eta vs tors. theta energy: -202.310
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: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2110.647713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.647713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.647713 (E_RNA)
where:
Base-Base interactions energy: -1448.685
where: short stacking energy: -637.761
Base-Backbone interact. energy: -1.607
local terms energy: -660.356153
where:
bonds (distance) C4'-P energy: -132.664
bonds (distance) P-C4' energy: -135.492
flat angles C4'-P-C4' energy: -139.563
flat angles P-C4'-P energy: -70.710
tors. eta vs tors. theta energy: -181.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2080.503857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.503857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.503857 (E_RNA)
where:
Base-Base interactions energy: -1458.599
where: short stacking energy: -623.593
Base-Backbone interact. energy: 1.826
local terms energy: -623.731066
where:
bonds (distance) C4'-P energy: -108.998
bonds (distance) P-C4' energy: -101.096
flat angles C4'-P-C4' energy: -147.486
flat angles P-C4'-P energy: -95.101
tors. eta vs tors. theta energy: -171.050
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: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1886.232164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.232164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.232164 (E_RNA)
where:
Base-Base interactions energy: -1269.629
where: short stacking energy: -547.886
Base-Backbone interact. energy: 0.616
local terms energy: -617.219285
where:
bonds (distance) C4'-P energy: -120.440
bonds (distance) P-C4' energy: -110.912
flat angles C4'-P-C4' energy: -135.039
flat angles P-C4'-P energy: -84.087
tors. eta vs tors. theta energy: -166.741
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: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1624.370263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.370263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.370263 (E_RNA)
where:
Base-Base interactions energy: -1070.711
where: short stacking energy: -462.913
Base-Backbone interact. energy: 0.946
local terms energy: -554.605964
where:
bonds (distance) C4'-P energy: -122.438
bonds (distance) P-C4' energy: -110.861
flat angles C4'-P-C4' energy: -131.163
flat angles P-C4'-P energy: -85.982
tors. eta vs tors. theta energy: -104.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1620.225602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.225602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.225602 (E_RNA)
where:
Base-Base interactions energy: -1087.273
where: short stacking energy: -489.243
Base-Backbone interact. energy: -2.446
local terms energy: -530.506919
where:
bonds (distance) C4'-P energy: -100.968
bonds (distance) P-C4' energy: -106.836
flat angles C4'-P-C4' energy: -121.766
flat angles P-C4'-P energy: -69.696
tors. eta vs tors. theta energy: -131.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1302.019031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.019031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.019031 (E_RNA)
where:
Base-Base interactions energy: -827.049
where: short stacking energy: -369.689
Base-Backbone interact. energy: -2.369
local terms energy: -472.600309
where:
bonds (distance) C4'-P energy: -116.902
bonds (distance) P-C4' energy: -88.881
flat angles C4'-P-C4' energy: -132.267
flat angles P-C4'-P energy: -49.537
tors. eta vs tors. theta energy: -85.014
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: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1120.140594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.140594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.140594 (E_RNA)
where:
Base-Base interactions energy: -688.617
where: short stacking energy: -330.209
Base-Backbone interact. energy: -0.226
local terms energy: -431.297741
where:
bonds (distance) C4'-P energy: -108.167
bonds (distance) P-C4' energy: -109.913
flat angles C4'-P-C4' energy: -106.201
flat angles P-C4'-P energy: -53.657
tors. eta vs tors. theta energy: -53.360
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: 420
Temperature: 1.350000
Total energy: -886.792703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.792703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.792703 (E_RNA)
where:
Base-Base interactions energy: -478.483
where: short stacking energy: -233.230
Base-Backbone interact. energy: 2.603
local terms energy: -410.912724
where:
bonds (distance) C4'-P energy: -96.376
bonds (distance) P-C4' energy: -114.119
flat angles C4'-P-C4' energy: -117.892
flat angles P-C4'-P energy: -58.006
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2327.035893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.035893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.035893 (E_RNA)
where:
Base-Base interactions energy: -1587.522
where: short stacking energy: -714.674
Base-Backbone interact. energy: -2.471
local terms energy: -737.042598
where:
bonds (distance) C4'-P energy: -140.722
bonds (distance) P-C4' energy: -129.943
flat angles C4'-P-C4' energy: -146.286
flat angles P-C4'-P energy: -112.058
tors. eta vs tors. theta energy: -208.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2249.152899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.152899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.152899 (E_RNA)
where:
Base-Base interactions energy: -1529.213
where: short stacking energy: -672.047
Base-Backbone interact. energy: -3.832
local terms energy: -716.108137
where:
bonds (distance) C4'-P energy: -142.592
bonds (distance) P-C4' energy: -119.300
flat angles C4'-P-C4' energy: -148.517
flat angles P-C4'-P energy: -101.143
tors. eta vs tors. theta energy: -204.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2132.207597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.207597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.207597 (E_RNA)
where:
Base-Base interactions energy: -1446.449
where: short stacking energy: -668.622
Base-Backbone interact. energy: -1.706
local terms energy: -684.052265
where:
bonds (distance) C4'-P energy: -128.633
bonds (distance) P-C4' energy: -115.057
flat angles C4'-P-C4' energy: -145.208
flat angles P-C4'-P energy: -101.517
tors. eta vs tors. theta energy: -193.639
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: 421
Temperature: 1.050000
Total energy: -2064.445563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.445563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.445563 (E_RNA)
where:
Base-Base interactions energy: -1429.441
where: short stacking energy: -612.725
Base-Backbone interact. energy: -1.226
local terms energy: -633.779228
where:
bonds (distance) C4'-P energy: -115.847
bonds (distance) P-C4' energy: -112.152
flat angles C4'-P-C4' energy: -146.942
flat angles P-C4'-P energy: -86.282
tors. eta vs tors. theta energy: -172.556
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: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1897.161550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.161550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.161550 (E_RNA)
where:
Base-Base interactions energy: -1253.865
where: short stacking energy: -564.506
Base-Backbone interact. energy: -0.897
local terms energy: -642.399483
where:
bonds (distance) C4'-P energy: -115.903
bonds (distance) P-C4' energy: -119.709
flat angles C4'-P-C4' energy: -151.742
flat angles P-C4'-P energy: -82.769
tors. eta vs tors. theta energy: -172.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1689.842380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.842380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.842380 (E_RNA)
where:
Base-Base interactions energy: -1106.468
where: short stacking energy: -482.271
Base-Backbone interact. energy: 1.520
local terms energy: -584.894627
where:
bonds (distance) C4'-P energy: -120.295
bonds (distance) P-C4' energy: -132.870
flat angles C4'-P-C4' energy: -117.790
flat angles P-C4'-P energy: -93.275
tors. eta vs tors. theta energy: -120.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1597.313634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.313634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.313634 (E_RNA)
where:
Base-Base interactions energy: -1083.370
where: short stacking energy: -471.626
Base-Backbone interact. energy: 1.358
local terms energy: -515.302257
where:
bonds (distance) C4'-P energy: -96.422
bonds (distance) P-C4' energy: -119.869
flat angles C4'-P-C4' energy: -115.554
flat angles P-C4'-P energy: -59.496
tors. eta vs tors. theta energy: -123.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1280.484086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.484086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.484086 (E_RNA)
where:
Base-Base interactions energy: -781.224
where: short stacking energy: -376.359
Base-Backbone interact. energy: -0.878
local terms energy: -498.382414
where:
bonds (distance) C4'-P energy: -111.028
bonds (distance) P-C4' energy: -103.076
flat angles C4'-P-C4' energy: -120.804
flat angles P-C4'-P energy: -84.623
tors. eta vs tors. theta energy: -78.852
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: 421
Temperature: 1.300000
Total energy: -1088.763251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.763251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.763251 (E_RNA)
where:
Base-Base interactions energy: -654.807
where: short stacking energy: -333.640
Base-Backbone interact. energy: 1.709
local terms energy: -435.664995
where:
bonds (distance) C4'-P energy: -113.322
bonds (distance) P-C4' energy: -102.571
flat angles C4'-P-C4' energy: -106.859
flat angles P-C4'-P energy: -55.791
tors. eta vs tors. theta energy: -57.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -885.489966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.489966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.489966 (E_RNA)
where:
Base-Base interactions energy: -507.243
where: short stacking energy: -246.283
Base-Backbone interact. energy: -0.995
local terms energy: -377.252294
where:
bonds (distance) C4'-P energy: -102.605
bonds (distance) P-C4' energy: -105.717
flat angles C4'-P-C4' energy: -99.071
flat angles P-C4'-P energy: -54.799
tors. eta vs tors. theta energy: -15.061
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: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2339.040780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.040780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.040780 (E_RNA)
where:
Base-Base interactions energy: -1627.200
where: short stacking energy: -718.635
Base-Backbone interact. energy: -0.636
local terms energy: -711.204459
where:
bonds (distance) C4'-P energy: -119.332
bonds (distance) P-C4' energy: -135.843
flat angles C4'-P-C4' energy: -148.060
flat angles P-C4'-P energy: -96.681
tors. eta vs tors. theta energy: -211.288
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: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2259.292532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.292532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.292532 (E_RNA)
where:
Base-Base interactions energy: -1545.977
where: short stacking energy: -680.768
Base-Backbone interact. energy: -3.521
local terms energy: -709.794621
where:
bonds (distance) C4'-P energy: -136.501
bonds (distance) P-C4' energy: -125.817
flat angles C4'-P-C4' energy: -141.796
flat angles P-C4'-P energy: -98.309
tors. eta vs tors. theta energy: -207.372
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: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2125.555049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.555049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.555049 (E_RNA)
where:
Base-Base interactions energy: -1443.059
where: short stacking energy: -638.308
Base-Backbone interact. energy: -1.272
local terms energy: -681.224061
where:
bonds (distance) C4'-P energy: -120.671
bonds (distance) P-C4' energy: -133.298
flat angles C4'-P-C4' energy: -146.860
flat angles P-C4'-P energy: -93.206
tors. eta vs tors. theta energy: -187.189
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: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2100.295094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.295094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.295094 (E_RNA)
where:
Base-Base interactions energy: -1442.775
where: short stacking energy: -586.091
Base-Backbone interact. energy: -1.543
local terms energy: -655.976456
where:
bonds (distance) C4'-P energy: -125.396
bonds (distance) P-C4' energy: -113.520
flat angles C4'-P-C4' energy: -146.373
flat angles P-C4'-P energy: -93.031
tors. eta vs tors. theta energy: -177.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1886.209279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.209279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.209279 (E_RNA)
where:
Base-Base interactions energy: -1264.890
where: short stacking energy: -574.504
Base-Backbone interact. energy: 0.655
local terms energy: -621.973771
where:
bonds (distance) C4'-P energy: -119.632
bonds (distance) P-C4' energy: -109.811
flat angles C4'-P-C4' energy: -128.169
flat angles P-C4'-P energy: -87.736
tors. eta vs tors. theta energy: -176.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1681.401777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.401777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.401777 (E_RNA)
where:
Base-Base interactions energy: -1139.592
where: short stacking energy: -469.579
Base-Backbone interact. energy: -0.787
local terms energy: -541.022961
where:
bonds (distance) C4'-P energy: -111.710
bonds (distance) P-C4' energy: -112.659
flat angles C4'-P-C4' energy: -116.867
flat angles P-C4'-P energy: -70.645
tors. eta vs tors. theta energy: -129.142
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: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1653.490492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.490492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.490492 (E_RNA)
where:
Base-Base interactions energy: -1095.213
where: short stacking energy: -458.922
Base-Backbone interact. energy: -1.192
local terms energy: -557.085348
where:
bonds (distance) C4'-P energy: -105.011
bonds (distance) P-C4' energy: -119.583
flat angles C4'-P-C4' energy: -123.175
flat angles P-C4'-P energy: -86.971
tors. eta vs tors. theta energy: -122.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1280.569453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.569453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.569453 (E_RNA)
where:
Base-Base interactions energy: -795.301
where: short stacking energy: -347.167
Base-Backbone interact. energy: 0.990
local terms energy: -486.258789
where:
bonds (distance) C4'-P energy: -116.794
bonds (distance) P-C4' energy: -116.664
flat angles C4'-P-C4' energy: -119.493
flat angles P-C4'-P energy: -67.059
tors. eta vs tors. theta energy: -66.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1058.119689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.119689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.119689 (E_RNA)
where:
Base-Base interactions energy: -618.560
where: short stacking energy: -281.198
Base-Backbone interact. energy: -2.018
local terms energy: -437.541838
where:
bonds (distance) C4'-P energy: -99.158
bonds (distance) P-C4' energy: -122.825
flat angles C4'-P-C4' energy: -113.607
flat angles P-C4'-P energy: -69.396
tors. eta vs tors. theta energy: -32.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -901.758850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.758850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.758850 (E_RNA)
where:
Base-Base interactions energy: -513.793
where: short stacking energy: -251.914
Base-Backbone interact. energy: 2.033
local terms energy: -389.999373
where:
bonds (distance) C4'-P energy: -119.148
bonds (distance) P-C4' energy: -116.302
flat angles C4'-P-C4' energy: -99.245
flat angles P-C4'-P energy: -39.123
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2313.206138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.206138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.206138 (E_RNA)
where:
Base-Base interactions energy: -1565.933
where: short stacking energy: -671.653
Base-Backbone interact. energy: -0.734
local terms energy: -746.539054
where:
bonds (distance) C4'-P energy: -141.839
bonds (distance) P-C4' energy: -138.646
flat angles C4'-P-C4' energy: -146.106
flat angles P-C4'-P energy: -111.667
tors. eta vs tors. theta energy: -208.280
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: 423
Temperature: 0.950000
Total energy: -2256.630620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.630620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.630620 (E_RNA)
where:
Base-Base interactions energy: -1534.611
where: short stacking energy: -663.915
Base-Backbone interact. energy: -5.286
local terms energy: -716.733786
where:
bonds (distance) C4'-P energy: -112.978
bonds (distance) P-C4' energy: -141.757
flat angles C4'-P-C4' energy: -147.951
flat angles P-C4'-P energy: -102.821
tors. eta vs tors. theta energy: -211.227
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: 3, replica: 1
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2128.258180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.258180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.258180 (E_RNA)
where:
Base-Base interactions energy: -1425.880
where: short stacking energy: -622.814
Base-Backbone interact. energy: -2.719
local terms energy: -699.658948
where:
bonds (distance) C4'-P energy: -132.243
bonds (distance) P-C4' energy: -134.095
flat angles C4'-P-C4' energy: -156.243
flat angles P-C4'-P energy: -90.129
tors. eta vs tors. theta energy: -186.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2143.106297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.106297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.106297 (E_RNA)
where:
Base-Base interactions energy: -1454.553
where: short stacking energy: -614.654
Base-Backbone interact. energy: -0.493
local terms energy: -688.059831
where:
bonds (distance) C4'-P energy: -113.671
bonds (distance) P-C4' energy: -129.253
flat angles C4'-P-C4' energy: -153.377
flat angles P-C4'-P energy: -102.844
tors. eta vs tors. theta energy: -188.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1923.274153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.274153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.274153 (E_RNA)
where:
Base-Base interactions energy: -1289.291
where: short stacking energy: -568.202
Base-Backbone interact. energy: -0.998
local terms energy: -632.984827
where:
bonds (distance) C4'-P energy: -109.077
bonds (distance) P-C4' energy: -115.697
flat angles C4'-P-C4' energy: -149.096
flat angles P-C4'-P energy: -94.068
tors. eta vs tors. theta energy: -165.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1746.798859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.798859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.798859 (E_RNA)
where:
Base-Base interactions energy: -1161.231
where: short stacking energy: -506.875
Base-Backbone interact. energy: -0.010
local terms energy: -585.558443
where:
bonds (distance) C4'-P energy: -104.370
bonds (distance) P-C4' energy: -124.515
flat angles C4'-P-C4' energy: -132.565
flat angles P-C4'-P energy: -96.667
tors. eta vs tors. theta energy: -127.441
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: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1669.110710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.110710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.110710 (E_RNA)
where:
Base-Base interactions energy: -1091.583
where: short stacking energy: -486.316
Base-Backbone interact. energy: -1.516
local terms energy: -576.011203
where:
bonds (distance) C4'-P energy: -106.961
bonds (distance) P-C4' energy: -122.409
flat angles C4'-P-C4' energy: -130.153
flat angles P-C4'-P energy: -90.078
tors. eta vs tors. theta energy: -126.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1280.756492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.756492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.756492 (E_RNA)
where:
Base-Base interactions energy: -801.091
where: short stacking energy: -375.328
Base-Backbone interact. energy: -3.546
local terms energy: -476.118741
where:
bonds (distance) C4'-P energy: -110.604
bonds (distance) P-C4' energy: -100.473
flat angles C4'-P-C4' energy: -112.693
flat angles P-C4'-P energy: -72.276
tors. eta vs tors. theta energy: -80.073
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: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1030.423673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.423673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.423673 (E_RNA)
where:
Base-Base interactions energy: -615.345
where: short stacking energy: -304.377
Base-Backbone interact. energy: -0.077
local terms energy: -415.000745
where:
bonds (distance) C4'-P energy: -103.054
bonds (distance) P-C4' energy: -116.061
flat angles C4'-P-C4' energy: -117.404
flat angles P-C4'-P energy: -41.286
tors. eta vs tors. theta energy: -37.195
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: 423
Temperature: 1.350000
Total energy: -843.868150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.868150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.868150 (E_RNA)
where:
Base-Base interactions energy: -467.361
where: short stacking energy: -228.565
Base-Backbone interact. energy: 4.759
local terms energy: -381.265960
where:
bonds (distance) C4'-P energy: -114.650
bonds (distance) P-C4' energy: -116.796
flat angles C4'-P-C4' energy: -87.705
flat angles P-C4'-P energy: -51.060
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2307.653259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.653259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.653259 (E_RNA)
where:
Base-Base interactions energy: -1589.191
where: short stacking energy: -698.389
Base-Backbone interact. energy: 2.192
local terms energy: -720.654267
where:
bonds (distance) C4'-P energy: -137.260
bonds (distance) P-C4' energy: -126.768
flat angles C4'-P-C4' energy: -145.314
flat angles P-C4'-P energy: -102.321
tors. eta vs tors. theta energy: -208.991
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: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2276.616783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.616783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.616783 (E_RNA)
where:
Base-Base interactions energy: -1561.726
where: short stacking energy: -688.362
Base-Backbone interact. energy: -0.751
local terms energy: -714.139424
where:
bonds (distance) C4'-P energy: -135.499
bonds (distance) P-C4' energy: -110.936
flat angles C4'-P-C4' energy: -153.012
flat angles P-C4'-P energy: -105.446
tors. eta vs tors. theta energy: -209.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2218.611578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.611578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.611578 (E_RNA)
where:
Base-Base interactions energy: -1542.069
where: short stacking energy: -633.764
Base-Backbone interact. energy: -2.732
local terms energy: -673.810126
where:
bonds (distance) C4'-P energy: -148.530
bonds (distance) P-C4' energy: -115.808
flat angles C4'-P-C4' energy: -133.057
flat angles P-C4'-P energy: -93.442
tors. eta vs tors. theta energy: -182.973
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: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2056.820520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.820520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.820520 (E_RNA)
where:
Base-Base interactions energy: -1390.548
where: short stacking energy: -621.191
Base-Backbone interact. energy: -1.381
local terms energy: -664.891992
where:
bonds (distance) C4'-P energy: -123.536
bonds (distance) P-C4' energy: -129.585
flat angles C4'-P-C4' energy: -139.439
flat angles P-C4'-P energy: -80.156
tors. eta vs tors. theta energy: -192.176
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: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1864.206947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.206947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.206947 (E_RNA)
where:
Base-Base interactions energy: -1255.240
where: short stacking energy: -561.734
Base-Backbone interact. energy: -1.333
local terms energy: -607.633476
where:
bonds (distance) C4'-P energy: -117.091
bonds (distance) P-C4' energy: -116.533
flat angles C4'-P-C4' energy: -145.453
flat angles P-C4'-P energy: -83.165
tors. eta vs tors. theta energy: -145.392
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: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1751.663428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.663428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.663428 (E_RNA)
where:
Base-Base interactions energy: -1185.174
where: short stacking energy: -510.633
Base-Backbone interact. energy: -0.603
local terms energy: -565.886608
where:
bonds (distance) C4'-P energy: -97.709
bonds (distance) P-C4' energy: -126.718
flat angles C4'-P-C4' energy: -130.012
flat angles P-C4'-P energy: -74.902
tors. eta vs tors. theta energy: -136.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1668.282908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.282908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.282908 (E_RNA)
where:
Base-Base interactions energy: -1123.441
where: short stacking energy: -486.774
Base-Backbone interact. energy: 1.256
local terms energy: -546.097738
where:
bonds (distance) C4'-P energy: -124.963
bonds (distance) P-C4' energy: -115.521
flat angles C4'-P-C4' energy: -117.550
flat angles P-C4'-P energy: -65.054
tors. eta vs tors. theta energy: -123.010
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: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1266.643263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.643263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.643263 (E_RNA)
where:
Base-Base interactions energy: -789.918
where: short stacking energy: -370.636
Base-Backbone interact. energy: 0.792
local terms energy: -477.517944
where:
bonds (distance) C4'-P energy: -95.655
bonds (distance) P-C4' energy: -123.048
flat angles C4'-P-C4' energy: -126.693
flat angles P-C4'-P energy: -56.329
tors. eta vs tors. theta energy: -75.793
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: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1030.079961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.079961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.079961 (E_RNA)
where:
Base-Base interactions energy: -628.141
where: short stacking energy: -291.969
Base-Backbone interact. energy: 0.241
local terms energy: -402.179834
where:
bonds (distance) C4'-P energy: -94.607
bonds (distance) P-C4' energy: -111.368
flat angles C4'-P-C4' energy: -110.856
flat angles P-C4'-P energy: -60.187
tors. eta vs tors. theta energy: -25.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -843.702798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.702798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.702798 (E_RNA)
where:
Base-Base interactions energy: -455.850
where: short stacking energy: -250.187
Base-Backbone interact. energy: 0.570
local terms energy: -388.422479
where:
bonds (distance) C4'-P energy: -90.241
bonds (distance) P-C4' energy: -102.063
flat angles C4'-P-C4' energy: -99.505
flat angles P-C4'-P energy: -79.877
tors. eta vs tors. theta energy: -16.737
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: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2322.797160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.797160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.797160 (E_RNA)
where:
Base-Base interactions energy: -1590.850
where: short stacking energy: -719.057
Base-Backbone interact. energy: -3.398
local terms energy: -728.549677
where:
bonds (distance) C4'-P energy: -127.667
bonds (distance) P-C4' energy: -135.662
flat angles C4'-P-C4' energy: -149.897
flat angles P-C4'-P energy: -102.466
tors. eta vs tors. theta energy: -212.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2286.845813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.845813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.845813 (E_RNA)
where:
Base-Base interactions energy: -1548.883
where: short stacking energy: -689.539
Base-Backbone interact. energy: -1.944
local terms energy: -736.018315
where:
bonds (distance) C4'-P energy: -137.385
bonds (distance) P-C4' energy: -124.091
flat angles C4'-P-C4' energy: -150.833
flat angles P-C4'-P energy: -109.473
tors. eta vs tors. theta energy: -214.236
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: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2180.262345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.262345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.262345 (E_RNA)
where:
Base-Base interactions energy: -1515.819
where: short stacking energy: -647.468
Base-Backbone interact. energy: -1.529
local terms energy: -662.914358
where:
bonds (distance) C4'-P energy: -115.519
bonds (distance) P-C4' energy: -125.565
flat angles C4'-P-C4' energy: -139.540
flat angles P-C4'-P energy: -98.280
tors. eta vs tors. theta energy: -184.010
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: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2044.746616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.746616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.746616 (E_RNA)
where:
Base-Base interactions energy: -1399.391
where: short stacking energy: -600.994
Base-Backbone interact. energy: -3.060
local terms energy: -642.295671
where:
bonds (distance) C4'-P energy: -114.077
bonds (distance) P-C4' energy: -126.202
flat angles C4'-P-C4' energy: -144.819
flat angles P-C4'-P energy: -90.493
tors. eta vs tors. theta energy: -166.705
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: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1893.476043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.476043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.476043 (E_RNA)
where:
Base-Base interactions energy: -1276.943
where: short stacking energy: -586.852
Base-Backbone interact. energy: -2.852
local terms energy: -613.681444
where:
bonds (distance) C4'-P energy: -107.951
bonds (distance) P-C4' energy: -113.123
flat angles C4'-P-C4' energy: -148.310
flat angles P-C4'-P energy: -75.628
tors. eta vs tors. theta energy: -168.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1751.830221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.830221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.830221 (E_RNA)
where:
Base-Base interactions energy: -1176.852
where: short stacking energy: -504.132
Base-Backbone interact. energy: 4.228
local terms energy: -579.205620
where:
bonds (distance) C4'-P energy: -122.691
bonds (distance) P-C4' energy: -120.075
flat angles C4'-P-C4' energy: -125.997
flat angles P-C4'-P energy: -81.981
tors. eta vs tors. theta energy: -128.462
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: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1624.294196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.294196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.294196 (E_RNA)
where:
Base-Base interactions energy: -1102.197
where: short stacking energy: -467.065
Base-Backbone interact. energy: 0.631
local terms energy: -522.727935
where:
bonds (distance) C4'-P energy: -113.352
bonds (distance) P-C4' energy: -106.098
flat angles C4'-P-C4' energy: -120.802
flat angles P-C4'-P energy: -71.317
tors. eta vs tors. theta energy: -111.159
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: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1306.040774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.040774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.040774 (E_RNA)
where:
Base-Base interactions energy: -787.881
where: short stacking energy: -369.585
Base-Backbone interact. energy: -2.765
local terms energy: -515.394635
where:
bonds (distance) C4'-P energy: -106.674
bonds (distance) P-C4' energy: -126.599
flat angles C4'-P-C4' energy: -113.859
flat angles P-C4'-P energy: -85.007
tors. eta vs tors. theta energy: -83.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -999.482958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.482958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.482958 (E_RNA)
where:
Base-Base interactions energy: -615.544
where: short stacking energy: -282.511
Base-Backbone interact. energy: 0.348
local terms energy: -384.287528
where:
bonds (distance) C4'-P energy: -95.878
bonds (distance) P-C4' energy: -105.874
flat angles C4'-P-C4' energy: -90.908
flat angles P-C4'-P energy: -56.734
tors. eta vs tors. theta energy: -34.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -839.827345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.827345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.827345 (E_RNA)
where:
Base-Base interactions energy: -445.296
where: short stacking energy: -237.460
Base-Backbone interact. energy: 1.128
local terms energy: -395.658721
where:
bonds (distance) C4'-P energy: -99.779
bonds (distance) P-C4' energy: -119.329
flat angles C4'-P-C4' energy: -99.872
flat angles P-C4'-P energy: -57.200
tors. eta vs tors. theta energy: -19.480
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: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2333.214097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.214097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.214097 (E_RNA)
where:
Base-Base interactions energy: -1589.329
where: short stacking energy: -704.775
Base-Backbone interact. energy: -1.622
local terms energy: -742.262962
where:
bonds (distance) C4'-P energy: -145.127
bonds (distance) P-C4' energy: -125.429
flat angles C4'-P-C4' energy: -149.397
flat angles P-C4'-P energy: -113.072
tors. eta vs tors. theta energy: -209.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2298.386393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.386393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.386393 (E_RNA)
where:
Base-Base interactions energy: -1568.602
where: short stacking energy: -702.957
Base-Backbone interact. energy: -3.726
local terms energy: -726.058426
where:
bonds (distance) C4'-P energy: -122.224
bonds (distance) P-C4' energy: -142.834
flat angles C4'-P-C4' energy: -152.372
flat angles P-C4'-P energy: -95.399
tors. eta vs tors. theta energy: -213.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2170.046554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.046554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.046554 (E_RNA)
where:
Base-Base interactions energy: -1473.496
where: short stacking energy: -639.194
Base-Backbone interact. energy: -0.040
local terms energy: -696.510599
where:
bonds (distance) C4'-P energy: -132.067
bonds (distance) P-C4' energy: -147.877
flat angles C4'-P-C4' energy: -149.168
flat angles P-C4'-P energy: -91.365
tors. eta vs tors. theta energy: -176.034
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: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2044.132815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.132815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.132815 (E_RNA)
where:
Base-Base interactions energy: -1378.210
where: short stacking energy: -585.255
Base-Backbone interact. energy: -0.577
local terms energy: -665.345298
where:
bonds (distance) C4'-P energy: -119.961
bonds (distance) P-C4' energy: -141.852
flat angles C4'-P-C4' energy: -130.665
flat angles P-C4'-P energy: -98.311
tors. eta vs tors. theta energy: -174.556
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: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1870.527248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.527248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.527248 (E_RNA)
where:
Base-Base interactions energy: -1284.461
where: short stacking energy: -560.917
Base-Backbone interact. energy: -0.322
local terms energy: -585.743460
where:
bonds (distance) C4'-P energy: -103.127
bonds (distance) P-C4' energy: -105.392
flat angles C4'-P-C4' energy: -145.423
flat angles P-C4'-P energy: -69.728
tors. eta vs tors. theta energy: -162.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1814.370203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.370203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.370203 (E_RNA)
where:
Base-Base interactions energy: -1234.371
where: short stacking energy: -520.046
Base-Backbone interact. energy: -1.788
local terms energy: -578.210732
where:
bonds (distance) C4'-P energy: -98.016
bonds (distance) P-C4' energy: -124.085
flat angles C4'-P-C4' energy: -130.455
flat angles P-C4'-P energy: -83.003
tors. eta vs tors. theta energy: -142.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1584.579171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.579171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.579171 (E_RNA)
where:
Base-Base interactions energy: -1060.582
where: short stacking energy: -448.601
Base-Backbone interact. energy: -1.896
local terms energy: -522.101537
where:
bonds (distance) C4'-P energy: -104.392
bonds (distance) P-C4' energy: -110.425
flat angles C4'-P-C4' energy: -127.934
flat angles P-C4'-P energy: -67.941
tors. eta vs tors. theta energy: -111.410
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: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1318.810070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.810070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.810070 (E_RNA)
where:
Base-Base interactions energy: -810.887
where: short stacking energy: -372.862
Base-Backbone interact. energy: 1.598
local terms energy: -509.521327
where:
bonds (distance) C4'-P energy: -109.048
bonds (distance) P-C4' energy: -121.903
flat angles C4'-P-C4' energy: -118.984
flat angles P-C4'-P energy: -66.242
tors. eta vs tors. theta energy: -93.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1044.886503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.886503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.886503 (E_RNA)
where:
Base-Base interactions energy: -586.707
where: short stacking energy: -288.322
Base-Backbone interact. energy: 6.249
local terms energy: -464.428599
where:
bonds (distance) C4'-P energy: -120.419
bonds (distance) P-C4' energy: -113.178
flat angles C4'-P-C4' energy: -115.763
flat angles P-C4'-P energy: -64.577
tors. eta vs tors. theta energy: -50.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -855.007404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.007404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.007404 (E_RNA)
where:
Base-Base interactions energy: -479.495
where: short stacking energy: -231.048
Base-Backbone interact. energy: -0.846
local terms energy: -374.666743
where:
bonds (distance) C4'-P energy: -108.599
bonds (distance) P-C4' energy: -114.513
flat angles C4'-P-C4' energy: -92.040
flat angles P-C4'-P energy: -48.994
tors. eta vs tors. theta energy: -10.521
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: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2317.329286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.329286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.329286 (E_RNA)
where:
Base-Base interactions energy: -1608.144
where: short stacking energy: -693.397
Base-Backbone interact. energy: -0.328
local terms energy: -708.857344
where:
bonds (distance) C4'-P energy: -115.783
bonds (distance) P-C4' energy: -132.522
flat angles C4'-P-C4' energy: -152.343
flat angles P-C4'-P energy: -102.988
tors. eta vs tors. theta energy: -205.221
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: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2279.374300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.374300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.374300 (E_RNA)
where:
Base-Base interactions energy: -1562.726
where: short stacking energy: -691.865
Base-Backbone interact. energy: -3.542
local terms energy: -713.106439
where:
bonds (distance) C4'-P energy: -125.067
bonds (distance) P-C4' energy: -150.862
flat angles C4'-P-C4' energy: -152.018
flat angles P-C4'-P energy: -84.883
tors. eta vs tors. theta energy: -200.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2196.257314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.257314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.257314 (E_RNA)
where:
Base-Base interactions energy: -1495.210
where: short stacking energy: -623.868
Base-Backbone interact. energy: -3.806
local terms energy: -697.241463
where:
bonds (distance) C4'-P energy: -137.565
bonds (distance) P-C4' energy: -136.296
flat angles C4'-P-C4' energy: -143.301
flat angles P-C4'-P energy: -90.214
tors. eta vs tors. theta energy: -189.865
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: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2023.875420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.875420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.875420 (E_RNA)
where:
Base-Base interactions energy: -1369.158
where: short stacking energy: -587.552
Base-Backbone interact. energy: -3.773
local terms energy: -650.944363
where:
bonds (distance) C4'-P energy: -110.089
bonds (distance) P-C4' energy: -125.765
flat angles C4'-P-C4' energy: -141.715
flat angles P-C4'-P energy: -96.215
tors. eta vs tors. theta energy: -177.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1887.364064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.364064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.364064 (E_RNA)
where:
Base-Base interactions energy: -1263.934
where: short stacking energy: -550.655
Base-Backbone interact. energy: -2.223
local terms energy: -621.207255
where:
bonds (distance) C4'-P energy: -108.847
bonds (distance) P-C4' energy: -123.938
flat angles C4'-P-C4' energy: -132.382
flat angles P-C4'-P energy: -87.448
tors. eta vs tors. theta energy: -168.593
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: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1726.340978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.340978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.340978 (E_RNA)
where:
Base-Base interactions energy: -1168.797
where: short stacking energy: -521.650
Base-Backbone interact. energy: -3.931
local terms energy: -553.612593
where:
bonds (distance) C4'-P energy: -114.921
bonds (distance) P-C4' energy: -100.122
flat angles C4'-P-C4' energy: -140.333
flat angles P-C4'-P energy: -58.173
tors. eta vs tors. theta energy: -140.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1593.612617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.612617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.612617 (E_RNA)
where:
Base-Base interactions energy: -1079.336
where: short stacking energy: -478.947
Base-Backbone interact. energy: 1.720
local terms energy: -515.996963
where:
bonds (distance) C4'-P energy: -111.009
bonds (distance) P-C4' energy: -112.281
flat angles C4'-P-C4' energy: -124.254
flat angles P-C4'-P energy: -65.608
tors. eta vs tors. theta energy: -102.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1290.076887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.076887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.076887 (E_RNA)
where:
Base-Base interactions energy: -812.959
where: short stacking energy: -369.844
Base-Backbone interact. energy: 3.043
local terms energy: -480.160882
where:
bonds (distance) C4'-P energy: -105.889
bonds (distance) P-C4' energy: -101.629
flat angles C4'-P-C4' energy: -126.355
flat angles P-C4'-P energy: -71.969
tors. eta vs tors. theta energy: -74.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1024.441864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.441864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.441864 (E_RNA)
where:
Base-Base interactions energy: -641.950
where: short stacking energy: -328.919
Base-Backbone interact. energy: -0.723
local terms energy: -381.768397
where:
bonds (distance) C4'-P energy: -96.656
bonds (distance) P-C4' energy: -95.539
flat angles C4'-P-C4' energy: -104.264
flat angles P-C4'-P energy: -45.637
tors. eta vs tors. theta energy: -39.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -859.699418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.699418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.699418 (E_RNA)
where:
Base-Base interactions energy: -493.178
where: short stacking energy: -238.612
Base-Backbone interact. energy: 3.431
local terms energy: -369.952529
where:
bonds (distance) C4'-P energy: -110.349
bonds (distance) P-C4' energy: -95.349
flat angles C4'-P-C4' energy: -98.598
flat angles P-C4'-P energy: -55.695
tors. eta vs tors. theta energy: -9.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2347.758188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.758188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.758188 (E_RNA)
where:
Base-Base interactions energy: -1621.201
where: short stacking energy: -704.466
Base-Backbone interact. energy: -0.246
local terms energy: -726.311406
where:
bonds (distance) C4'-P energy: -135.783
bonds (distance) P-C4' energy: -124.094
flat angles C4'-P-C4' energy: -156.371
flat angles P-C4'-P energy: -99.248
tors. eta vs tors. theta energy: -210.815
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: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2282.187189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.187189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.187189 (E_RNA)
where:
Base-Base interactions energy: -1590.800
where: short stacking energy: -698.270
Base-Backbone interact. energy: -2.463
local terms energy: -688.923895
where:
bonds (distance) C4'-P energy: -136.934
bonds (distance) P-C4' energy: -115.671
flat angles C4'-P-C4' energy: -145.733
flat angles P-C4'-P energy: -90.602
tors. eta vs tors. theta energy: -199.984
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: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2152.388524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.388524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.388524 (E_RNA)
where:
Base-Base interactions energy: -1478.668
where: short stacking energy: -648.340
Base-Backbone interact. energy: -3.288
local terms energy: -670.432873
where:
bonds (distance) C4'-P energy: -118.616
bonds (distance) P-C4' energy: -121.208
flat angles C4'-P-C4' energy: -148.623
flat angles P-C4'-P energy: -96.548
tors. eta vs tors. theta energy: -185.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2048.675760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.675760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.675760 (E_RNA)
where:
Base-Base interactions energy: -1411.894
where: short stacking energy: -618.160
Base-Backbone interact. energy: -1.553
local terms energy: -635.228935
where:
bonds (distance) C4'-P energy: -122.093
bonds (distance) P-C4' energy: -116.182
flat angles C4'-P-C4' energy: -143.625
flat angles P-C4'-P energy: -77.217
tors. eta vs tors. theta energy: -176.112
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: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1860.531291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.531291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.531291 (E_RNA)
where:
Base-Base interactions energy: -1262.075
where: short stacking energy: -542.064
Base-Backbone interact. energy: 0.707
local terms energy: -599.163530
where:
bonds (distance) C4'-P energy: -96.347
bonds (distance) P-C4' energy: -120.812
flat angles C4'-P-C4' energy: -125.452
flat angles P-C4'-P energy: -89.578
tors. eta vs tors. theta energy: -166.974
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: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1744.696800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.696800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.696800 (E_RNA)
where:
Base-Base interactions energy: -1150.426
where: short stacking energy: -520.594
Base-Backbone interact. energy: 0.868
local terms energy: -595.139169
where:
bonds (distance) C4'-P energy: -117.640
bonds (distance) P-C4' energy: -120.958
flat angles C4'-P-C4' energy: -130.385
flat angles P-C4'-P energy: -83.043
tors. eta vs tors. theta energy: -143.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1599.385095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.385095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.385095 (E_RNA)
where:
Base-Base interactions energy: -1061.316
where: short stacking energy: -438.028
Base-Backbone interact. energy: 1.560
local terms energy: -539.628618
where:
bonds (distance) C4'-P energy: -108.757
bonds (distance) P-C4' energy: -114.182
flat angles C4'-P-C4' energy: -129.117
flat angles P-C4'-P energy: -70.395
tors. eta vs tors. theta energy: -117.178
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: 428
Temperature: 1.250000
Total energy: -1267.414696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.414696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.414696 (E_RNA)
where:
Base-Base interactions energy: -786.038
where: short stacking energy: -370.884
Base-Backbone interact. energy: -0.660
local terms energy: -480.716951
where:
bonds (distance) C4'-P energy: -103.543
bonds (distance) P-C4' energy: -104.559
flat angles C4'-P-C4' energy: -115.417
flat angles P-C4'-P energy: -76.631
tors. eta vs tors. theta energy: -80.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1009.916773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.916773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.916773 (E_RNA)
where:
Base-Base interactions energy: -583.108
where: short stacking energy: -280.471
Base-Backbone interact. energy: 2.993
local terms energy: -429.801655
where:
bonds (distance) C4'-P energy: -112.501
bonds (distance) P-C4' energy: -117.075
flat angles C4'-P-C4' energy: -96.250
flat angles P-C4'-P energy: -63.184
tors. eta vs tors. theta energy: -40.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -847.767621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.767621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.767621 (E_RNA)
where:
Base-Base interactions energy: -491.786
where: short stacking energy: -250.879
Base-Backbone interact. energy: -2.502
local terms energy: -353.480470
where:
bonds (distance) C4'-P energy: -103.121
bonds (distance) P-C4' energy: -88.503
flat angles C4'-P-C4' energy: -83.430
flat angles P-C4'-P energy: -58.227
tors. eta vs tors. theta energy: -20.199
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: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2354.058752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.058752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.058752 (E_RNA)
where:
Base-Base interactions energy: -1596.469
where: short stacking energy: -698.278
Base-Backbone interact. energy: -0.652
local terms energy: -756.937784
where:
bonds (distance) C4'-P energy: -134.746
bonds (distance) P-C4' energy: -138.084
flat angles C4'-P-C4' energy: -164.777
flat angles P-C4'-P energy: -105.857
tors. eta vs tors. theta energy: -213.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2285.116037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.116037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.116037 (E_RNA)
where:
Base-Base interactions energy: -1570.736
where: short stacking energy: -667.912
Base-Backbone interact. energy: -1.962
local terms energy: -712.418015
where:
bonds (distance) C4'-P energy: -127.205
bonds (distance) P-C4' energy: -127.803
flat angles C4'-P-C4' energy: -148.921
flat angles P-C4'-P energy: -99.192
tors. eta vs tors. theta energy: -209.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2191.460064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.460064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.460064 (E_RNA)
where:
Base-Base interactions energy: -1488.701
where: short stacking energy: -651.026
Base-Backbone interact. energy: -2.384
local terms energy: -700.374571
where:
bonds (distance) C4'-P energy: -131.852
bonds (distance) P-C4' energy: -124.451
flat angles C4'-P-C4' energy: -151.096
flat angles P-C4'-P energy: -104.779
tors. eta vs tors. theta energy: -188.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2061.470198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.470198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.470198 (E_RNA)
where:
Base-Base interactions energy: -1397.886
where: short stacking energy: -602.174
Base-Backbone interact. energy: -1.670
local terms energy: -661.914585
where:
bonds (distance) C4'-P energy: -127.632
bonds (distance) P-C4' energy: -129.251
flat angles C4'-P-C4' energy: -144.298
flat angles P-C4'-P energy: -86.636
tors. eta vs tors. theta energy: -174.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1901.726272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.726272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.726272 (E_RNA)
where:
Base-Base interactions energy: -1278.181
where: short stacking energy: -559.583
Base-Backbone interact. energy: -3.335
local terms energy: -620.211014
where:
bonds (distance) C4'-P energy: -118.339
bonds (distance) P-C4' energy: -134.714
flat angles C4'-P-C4' energy: -118.178
flat angles P-C4'-P energy: -75.126
tors. eta vs tors. theta energy: -173.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1743.333364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.333364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.333364 (E_RNA)
where:
Base-Base interactions energy: -1172.675
where: short stacking energy: -506.304
Base-Backbone interact. energy: -2.469
local terms energy: -568.189606
where:
bonds (distance) C4'-P energy: -120.397
bonds (distance) P-C4' energy: -101.875
flat angles C4'-P-C4' energy: -127.505
flat angles P-C4'-P energy: -81.549
tors. eta vs tors. theta energy: -136.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1582.299562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.299562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.299562 (E_RNA)
where:
Base-Base interactions energy: -1035.601
where: short stacking energy: -442.265
Base-Backbone interact. energy: -0.261
local terms energy: -546.438086
where:
bonds (distance) C4'-P energy: -113.837
bonds (distance) P-C4' energy: -113.150
flat angles C4'-P-C4' energy: -136.062
flat angles P-C4'-P energy: -72.940
tors. eta vs tors. theta energy: -110.448
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: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1274.803272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.803272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.803272 (E_RNA)
where:
Base-Base interactions energy: -830.473
where: short stacking energy: -364.780
Base-Backbone interact. energy: -0.651
local terms energy: -443.679758
where:
bonds (distance) C4'-P energy: -100.647
bonds (distance) P-C4' energy: -135.576
flat angles C4'-P-C4' energy: -93.194
flat angles P-C4'-P energy: -45.798
tors. eta vs tors. theta energy: -68.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1025.391885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.391885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.391885 (E_RNA)
where:
Base-Base interactions energy: -596.001
where: short stacking energy: -286.721
Base-Backbone interact. energy: 6.647
local terms energy: -436.037764
where:
bonds (distance) C4'-P energy: -112.166
bonds (distance) P-C4' energy: -127.310
flat angles C4'-P-C4' energy: -92.716
flat angles P-C4'-P energy: -61.937
tors. eta vs tors. theta energy: -41.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -889.599911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.599911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.599911 (E_RNA)
where:
Base-Base interactions energy: -501.998
where: short stacking energy: -226.422
Base-Backbone interact. energy: 1.942
local terms energy: -389.544097
where:
bonds (distance) C4'-P energy: -106.398
bonds (distance) P-C4' energy: -126.861
flat angles C4'-P-C4' energy: -92.757
flat angles P-C4'-P energy: -52.433
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2347.965634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.965634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.965634 (E_RNA)
where:
Base-Base interactions energy: -1610.311
where: short stacking energy: -692.641
Base-Backbone interact. energy: 0.669
local terms energy: -738.323538
where:
bonds (distance) C4'-P energy: -136.100
bonds (distance) P-C4' energy: -136.031
flat angles C4'-P-C4' energy: -146.007
flat angles P-C4'-P energy: -114.714
tors. eta vs tors. theta energy: -205.472
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: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2291.795955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.795955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.795955 (E_RNA)
where:
Base-Base interactions energy: -1575.816
where: short stacking energy: -686.612
Base-Backbone interact. energy: -4.335
local terms energy: -711.644970
where:
bonds (distance) C4'-P energy: -124.778
bonds (distance) P-C4' energy: -131.870
flat angles C4'-P-C4' energy: -152.619
flat angles P-C4'-P energy: -96.010
tors. eta vs tors. theta energy: -206.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2176.138433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.138433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.138433 (E_RNA)
where:
Base-Base interactions energy: -1518.084
where: short stacking energy: -653.123
Base-Backbone interact. energy: 5.594
local terms energy: -663.648887
where:
bonds (distance) C4'-P energy: -119.328
bonds (distance) P-C4' energy: -122.463
flat angles C4'-P-C4' energy: -141.422
flat angles P-C4'-P energy: -103.467
tors. eta vs tors. theta energy: -176.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2051.345396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.345396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.345396 (E_RNA)
where:
Base-Base interactions energy: -1410.253
where: short stacking energy: -621.136
Base-Backbone interact. energy: -1.643
local terms energy: -639.449477
where:
bonds (distance) C4'-P energy: -111.853
bonds (distance) P-C4' energy: -123.682
flat angles C4'-P-C4' energy: -143.083
flat angles P-C4'-P energy: -86.421
tors. eta vs tors. theta energy: -174.410
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: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1810.388644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.388644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.388644 (E_RNA)
where:
Base-Base interactions energy: -1236.902
where: short stacking energy: -534.444
Base-Backbone interact. energy: -2.050
local terms energy: -571.436684
where:
bonds (distance) C4'-P energy: -117.071
bonds (distance) P-C4' energy: -110.169
flat angles C4'-P-C4' energy: -122.127
flat angles P-C4'-P energy: -78.681
tors. eta vs tors. theta energy: -143.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1824.489963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.489963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.489963 (E_RNA)
where:
Base-Base interactions energy: -1211.162
where: short stacking energy: -540.563
Base-Backbone interact. energy: -3.089
local terms energy: -610.239320
where:
bonds (distance) C4'-P energy: -111.808
bonds (distance) P-C4' energy: -127.409
flat angles C4'-P-C4' energy: -138.446
flat angles P-C4'-P energy: -88.916
tors. eta vs tors. theta energy: -143.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1599.666435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.666435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.666435 (E_RNA)
where:
Base-Base interactions energy: -1106.879
where: short stacking energy: -447.518
Base-Backbone interact. energy: -1.956
local terms energy: -490.831196
where:
bonds (distance) C4'-P energy: -117.008
bonds (distance) P-C4' energy: -98.938
flat angles C4'-P-C4' energy: -105.718
flat angles P-C4'-P energy: -70.621
tors. eta vs tors. theta energy: -98.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1199.498262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.498262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.498262 (E_RNA)
where:
Base-Base interactions energy: -737.705
where: short stacking energy: -347.035
Base-Backbone interact. energy: 5.795
local terms energy: -467.587471
where:
bonds (distance) C4'-P energy: -96.000
bonds (distance) P-C4' energy: -121.888
flat angles C4'-P-C4' energy: -118.203
flat angles P-C4'-P energy: -67.810
tors. eta vs tors. theta energy: -63.688
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: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1027.116944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.116944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.116944 (E_RNA)
where:
Base-Base interactions energy: -580.026
where: short stacking energy: -282.204
Base-Backbone interact. energy: 6.952
local terms energy: -454.043660
where:
bonds (distance) C4'-P energy: -131.266
bonds (distance) P-C4' energy: -99.932
flat angles C4'-P-C4' energy: -114.891
flat angles P-C4'-P energy: -73.233
tors. eta vs tors. theta energy: -34.721
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: 430
Temperature: 1.350000
Total energy: -903.657946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.657946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.657946 (E_RNA)
where:
Base-Base interactions energy: -523.357
where: short stacking energy: -255.951
Base-Backbone interact. energy: 1.322
local terms energy: -381.622987
where:
bonds (distance) C4'-P energy: -90.558
bonds (distance) P-C4' energy: -102.824
flat angles C4'-P-C4' energy: -111.212
flat angles P-C4'-P energy: -72.681
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: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2360.065233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.065233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.065233 (E_RNA)
where:
Base-Base interactions energy: -1601.072
where: short stacking energy: -714.849
Base-Backbone interact. energy: -2.798
local terms energy: -756.194624
where:
bonds (distance) C4'-P energy: -125.761
bonds (distance) P-C4' energy: -143.593
flat angles C4'-P-C4' energy: -167.461
flat angles P-C4'-P energy: -101.388
tors. eta vs tors. theta energy: -217.991
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: 431
Temperature: 0.950000
Total energy: -2270.865145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.865145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.865145 (E_RNA)
where:
Base-Base interactions energy: -1540.575
where: short stacking energy: -685.576
Base-Backbone interact. energy: -3.651
local terms energy: -726.640013
where:
bonds (distance) C4'-P energy: -131.214
bonds (distance) P-C4' energy: -135.660
flat angles C4'-P-C4' energy: -155.221
flat angles P-C4'-P energy: -96.799
tors. eta vs tors. theta energy: -207.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2196.771087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.771087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.771087 (E_RNA)
where:
Base-Base interactions energy: -1499.826
where: short stacking energy: -647.445
Base-Backbone interact. energy: -2.872
local terms energy: -694.072941
where:
bonds (distance) C4'-P energy: -141.465
bonds (distance) P-C4' energy: -122.886
flat angles C4'-P-C4' energy: -141.897
flat angles P-C4'-P energy: -94.274
tors. eta vs tors. theta energy: -193.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2014.442215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.442215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.442215 (E_RNA)
where:
Base-Base interactions energy: -1361.098
where: short stacking energy: -603.920
Base-Backbone interact. energy: -1.219
local terms energy: -652.125170
where:
bonds (distance) C4'-P energy: -113.676
bonds (distance) P-C4' energy: -127.338
flat angles C4'-P-C4' energy: -136.343
flat angles P-C4'-P energy: -95.464
tors. eta vs tors. theta energy: -179.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1800.477457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.477457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.477457 (E_RNA)
where:
Base-Base interactions energy: -1185.070
where: short stacking energy: -516.532
Base-Backbone interact. energy: 5.132
local terms energy: -620.539329
where:
bonds (distance) C4'-P energy: -121.578
bonds (distance) P-C4' energy: -131.012
flat angles C4'-P-C4' energy: -135.316
flat angles P-C4'-P energy: -78.198
tors. eta vs tors. theta energy: -154.436
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: 3
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1831.726729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.726729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.726729 (E_RNA)
where:
Base-Base interactions energy: -1243.299
where: short stacking energy: -535.364
Base-Backbone interact. energy: -2.462
local terms energy: -585.965019
where:
bonds (distance) C4'-P energy: -111.411
bonds (distance) P-C4' energy: -116.254
flat angles C4'-P-C4' energy: -128.755
flat angles P-C4'-P energy: -84.796
tors. eta vs tors. theta energy: -144.749
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: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1615.092776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.092776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.092776 (E_RNA)
where:
Base-Base interactions energy: -1113.802
where: short stacking energy: -459.587
Base-Backbone interact. energy: -0.723
local terms energy: -500.567797
where:
bonds (distance) C4'-P energy: -105.780
bonds (distance) P-C4' energy: -99.298
flat angles C4'-P-C4' energy: -115.988
flat angles P-C4'-P energy: -67.746
tors. eta vs tors. theta energy: -111.755
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1161.137419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.137419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.137419 (E_RNA)
where:
Base-Base interactions energy: -712.995
where: short stacking energy: -340.167
Base-Backbone interact. energy: 0.587
local terms energy: -448.729068
where:
bonds (distance) C4'-P energy: -86.590
bonds (distance) P-C4' energy: -127.274
flat angles C4'-P-C4' energy: -109.840
flat angles P-C4'-P energy: -70.853
tors. eta vs tors. theta energy: -54.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1018.192427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.192427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.192427 (E_RNA)
where:
Base-Base interactions energy: -611.136
where: short stacking energy: -298.438
Base-Backbone interact. energy: 2.506
local terms energy: -409.561868
where:
bonds (distance) C4'-P energy: -107.500
bonds (distance) P-C4' energy: -92.662
flat angles C4'-P-C4' energy: -111.924
flat angles P-C4'-P energy: -57.544
tors. eta vs tors. theta energy: -39.932
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: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -898.417115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.417115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.417115 (E_RNA)
where:
Base-Base interactions energy: -499.670
where: short stacking energy: -248.339
Base-Backbone interact. energy: 4.205
local terms energy: -402.951622
where:
bonds (distance) C4'-P energy: -81.653
bonds (distance) P-C4' energy: -110.568
flat angles C4'-P-C4' energy: -111.461
flat angles P-C4'-P energy: -64.761
tors. eta vs tors. theta energy: -34.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2359.227882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.227882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.227882 (E_RNA)
where:
Base-Base interactions energy: -1602.519
where: short stacking energy: -692.611
Base-Backbone interact. energy: -3.369
local terms energy: -753.339902
where:
bonds (distance) C4'-P energy: -134.923
bonds (distance) P-C4' energy: -133.170
flat angles C4'-P-C4' energy: -158.182
flat angles P-C4'-P energy: -110.008
tors. eta vs tors. theta energy: -217.057
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: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2257.066347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.066347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.066347 (E_RNA)
where:
Base-Base interactions energy: -1539.815
where: short stacking energy: -663.554
Base-Backbone interact. energy: -6.248
local terms energy: -711.003337
where:
bonds (distance) C4'-P energy: -133.432
bonds (distance) P-C4' energy: -140.838
flat angles C4'-P-C4' energy: -141.629
flat angles P-C4'-P energy: -99.730
tors. eta vs tors. theta energy: -195.374
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: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2151.499242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.499242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.499242 (E_RNA)
where:
Base-Base interactions energy: -1483.537
where: short stacking energy: -632.167
Base-Backbone interact. energy: -1.528
local terms energy: -666.434103
where:
bonds (distance) C4'-P energy: -123.853
bonds (distance) P-C4' energy: -133.185
flat angles C4'-P-C4' energy: -146.982
flat angles P-C4'-P energy: -84.383
tors. eta vs tors. theta energy: -178.030
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: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2018.818422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.818422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.818422 (E_RNA)
where:
Base-Base interactions energy: -1381.198
where: short stacking energy: -600.132
Base-Backbone interact. energy: 0.337
local terms energy: -637.957622
where:
bonds (distance) C4'-P energy: -108.412
bonds (distance) P-C4' energy: -120.727
flat angles C4'-P-C4' energy: -143.590
flat angles P-C4'-P energy: -84.246
tors. eta vs tors. theta energy: -180.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1893.361884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.361884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.361884 (E_RNA)
where:
Base-Base interactions energy: -1278.273
where: short stacking energy: -563.280
Base-Backbone interact. energy: 1.849
local terms energy: -616.938256
where:
bonds (distance) C4'-P energy: -114.361
bonds (distance) P-C4' energy: -124.279
flat angles C4'-P-C4' energy: -133.146
flat angles P-C4'-P energy: -77.210
tors. eta vs tors. theta energy: -167.942
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: 432
Temperature: 1.150000
Total energy: -1757.852353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.852353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.852353 (E_RNA)
where:
Base-Base interactions energy: -1213.032
where: short stacking energy: -513.671
Base-Backbone interact. energy: -0.820
local terms energy: -543.999920
where:
bonds (distance) C4'-P energy: -98.492
bonds (distance) P-C4' energy: -116.783
flat angles C4'-P-C4' energy: -105.099
flat angles P-C4'-P energy: -83.543
tors. eta vs tors. theta energy: -140.083
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: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1608.840261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.840261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.840261 (E_RNA)
where:
Base-Base interactions energy: -1069.954
where: short stacking energy: -485.943
Base-Backbone interact. energy: 1.215
local terms energy: -540.100654
where:
bonds (distance) C4'-P energy: -119.825
bonds (distance) P-C4' energy: -116.288
flat angles C4'-P-C4' energy: -123.915
flat angles P-C4'-P energy: -60.125
tors. eta vs tors. theta energy: -119.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1164.545497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.545497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.545497 (E_RNA)
where:
Base-Base interactions energy: -703.265
where: short stacking energy: -354.906
Base-Backbone interact. energy: -0.196
local terms energy: -461.084494
where:
bonds (distance) C4'-P energy: -105.760
bonds (distance) P-C4' energy: -102.171
flat angles C4'-P-C4' energy: -125.659
flat angles P-C4'-P energy: -59.048
tors. eta vs tors. theta energy: -68.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -937.810249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.810249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.810249 (E_RNA)
where:
Base-Base interactions energy: -537.129
where: short stacking energy: -240.916
Base-Backbone interact. energy: -2.735
local terms energy: -397.945301
where:
bonds (distance) C4'-P energy: -100.161
bonds (distance) P-C4' energy: -118.906
flat angles C4'-P-C4' energy: -109.243
flat angles P-C4'-P energy: -62.237
tors. eta vs tors. theta energy: -7.398
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: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -894.231679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.231679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.231679 (E_RNA)
where:
Base-Base interactions energy: -500.522
where: short stacking energy: -227.098
Base-Backbone interact. energy: 0.930
local terms energy: -394.639198
where:
bonds (distance) C4'-P energy: -98.604
bonds (distance) P-C4' energy: -114.078
flat angles C4'-P-C4' energy: -105.480
flat angles P-C4'-P energy: -45.790
tors. eta vs tors. theta energy: -30.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2333.294601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.294601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.294601 (E_RNA)
where:
Base-Base interactions energy: -1600.371
where: short stacking energy: -688.862
Base-Backbone interact. energy: -3.177
local terms energy: -729.747102
where:
bonds (distance) C4'-P energy: -128.389
bonds (distance) P-C4' energy: -141.373
flat angles C4'-P-C4' energy: -144.358
flat angles P-C4'-P energy: -103.800
tors. eta vs tors. theta energy: -211.828
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: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2282.878977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.878977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.878977 (E_RNA)
where:
Base-Base interactions energy: -1551.791
where: short stacking energy: -719.655
Base-Backbone interact. energy: -3.375
local terms energy: -727.712792
where:
bonds (distance) C4'-P energy: -128.967
bonds (distance) P-C4' energy: -131.409
flat angles C4'-P-C4' energy: -145.856
flat angles P-C4'-P energy: -99.662
tors. eta vs tors. theta energy: -221.819
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: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2196.735454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.735454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.735454 (E_RNA)
where:
Base-Base interactions energy: -1513.832
where: short stacking energy: -625.957
Base-Backbone interact. energy: -1.681
local terms energy: -681.222050
where:
bonds (distance) C4'-P energy: -134.681
bonds (distance) P-C4' energy: -131.482
flat angles C4'-P-C4' energy: -142.226
flat angles P-C4'-P energy: -95.757
tors. eta vs tors. theta energy: -177.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2028.962367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.962367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.962367 (E_RNA)
where:
Base-Base interactions energy: -1390.346
where: short stacking energy: -590.027
Base-Backbone interact. energy: 3.154
local terms energy: -641.770202
where:
bonds (distance) C4'-P energy: -131.221
bonds (distance) P-C4' energy: -116.278
flat angles C4'-P-C4' energy: -135.934
flat angles P-C4'-P energy: -92.950
tors. eta vs tors. theta energy: -165.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1894.397946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.397946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.397946 (E_RNA)
where:
Base-Base interactions energy: -1273.351
where: short stacking energy: -571.495
Base-Backbone interact. energy: 1.431
local terms energy: -622.477840
where:
bonds (distance) C4'-P energy: -117.366
bonds (distance) P-C4' energy: -126.438
flat angles C4'-P-C4' energy: -128.691
flat angles P-C4'-P energy: -91.329
tors. eta vs tors. theta energy: -158.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1713.910622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.910622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.910622 (E_RNA)
where:
Base-Base interactions energy: -1139.466
where: short stacking energy: -484.246
Base-Backbone interact. energy: -2.088
local terms energy: -572.356900
where:
bonds (distance) C4'-P energy: -99.255
bonds (distance) P-C4' energy: -127.886
flat angles C4'-P-C4' energy: -130.207
flat angles P-C4'-P energy: -74.717
tors. eta vs tors. theta energy: -140.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1613.403754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.403754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.403754 (E_RNA)
where:
Base-Base interactions energy: -1081.158
where: short stacking energy: -468.729
Base-Backbone interact. energy: -2.458
local terms energy: -529.788628
where:
bonds (distance) C4'-P energy: -106.743
bonds (distance) P-C4' energy: -112.915
flat angles C4'-P-C4' energy: -114.648
flat angles P-C4'-P energy: -76.675
tors. eta vs tors. theta energy: -118.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1122.289034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.289034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.289034 (E_RNA)
where:
Base-Base interactions energy: -676.408
where: short stacking energy: -311.017
Base-Backbone interact. energy: 6.362
local terms energy: -452.242669
where:
bonds (distance) C4'-P energy: -108.692
bonds (distance) P-C4' energy: -112.747
flat angles C4'-P-C4' energy: -118.393
flat angles P-C4'-P energy: -74.091
tors. eta vs tors. theta energy: -38.320
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: 433
Temperature: 1.300000
Total energy: -997.669911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.669911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.669911 (E_RNA)
where:
Base-Base interactions energy: -566.450
where: short stacking energy: -261.256
Base-Backbone interact. energy: 0.206
local terms energy: -431.426463
where:
bonds (distance) C4'-P energy: -92.640
bonds (distance) P-C4' energy: -120.781
flat angles C4'-P-C4' energy: -103.298
flat angles P-C4'-P energy: -78.497
tors. eta vs tors. theta energy: -36.210
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: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -861.844061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.844061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.844061 (E_RNA)
where:
Base-Base interactions energy: -482.344
where: short stacking energy: -233.205
Base-Backbone interact. energy: -1.141
local terms energy: -378.359257
where:
bonds (distance) C4'-P energy: -96.168
bonds (distance) P-C4' energy: -110.799
flat angles C4'-P-C4' energy: -116.918
flat angles P-C4'-P energy: -38.699
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: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2313.634312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.634312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.634312 (E_RNA)
where:
Base-Base interactions energy: -1567.052
where: short stacking energy: -684.077
Base-Backbone interact. energy: -2.420
local terms energy: -744.162898
where:
bonds (distance) C4'-P energy: -135.118
bonds (distance) P-C4' energy: -132.339
flat angles C4'-P-C4' energy: -158.617
flat angles P-C4'-P energy: -97.429
tors. eta vs tors. theta energy: -220.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2289.946797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.946797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.946797 (E_RNA)
where:
Base-Base interactions energy: -1561.025
where: short stacking energy: -702.829
Base-Backbone interact. energy: -3.835
local terms energy: -725.086898
where:
bonds (distance) C4'-P energy: -126.713
bonds (distance) P-C4' energy: -127.628
flat angles C4'-P-C4' energy: -159.474
flat angles P-C4'-P energy: -94.939
tors. eta vs tors. theta energy: -216.334
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: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2185.985193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.985193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.985193 (E_RNA)
where:
Base-Base interactions energy: -1491.620
where: short stacking energy: -644.824
Base-Backbone interact. energy: 1.082
local terms energy: -695.446423
where:
bonds (distance) C4'-P energy: -123.822
bonds (distance) P-C4' energy: -130.521
flat angles C4'-P-C4' energy: -149.879
flat angles P-C4'-P energy: -103.839
tors. eta vs tors. theta energy: -187.386
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: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2056.492753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.492753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.492753 (E_RNA)
where:
Base-Base interactions energy: -1415.270
where: short stacking energy: -608.227
Base-Backbone interact. energy: -0.183
local terms energy: -641.039223
where:
bonds (distance) C4'-P energy: -112.441
bonds (distance) P-C4' energy: -134.907
flat angles C4'-P-C4' energy: -145.071
flat angles P-C4'-P energy: -86.089
tors. eta vs tors. theta energy: -162.532
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: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1895.150395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.150395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.150395 (E_RNA)
where:
Base-Base interactions energy: -1288.060
where: short stacking energy: -560.151
Base-Backbone interact. energy: 5.128
local terms energy: -612.218425
where:
bonds (distance) C4'-P energy: -106.392
bonds (distance) P-C4' energy: -115.263
flat angles C4'-P-C4' energy: -144.829
flat angles P-C4'-P energy: -90.507
tors. eta vs tors. theta energy: -155.228
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: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1705.575686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.575686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.575686 (E_RNA)
where:
Base-Base interactions energy: -1142.808
where: short stacking energy: -495.908
Base-Backbone interact. energy: 5.977
local terms energy: -568.743996
where:
bonds (distance) C4'-P energy: -97.347
bonds (distance) P-C4' energy: -118.990
flat angles C4'-P-C4' energy: -130.921
flat angles P-C4'-P energy: -90.985
tors. eta vs tors. theta energy: -130.501
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: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1605.903849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.903849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.903849 (E_RNA)
where:
Base-Base interactions energy: -1068.877
where: short stacking energy: -468.816
Base-Backbone interact. energy: -2.805
local terms energy: -534.221573
where:
bonds (distance) C4'-P energy: -105.644
bonds (distance) P-C4' energy: -117.514
flat angles C4'-P-C4' energy: -118.820
flat angles P-C4'-P energy: -73.718
tors. eta vs tors. theta energy: -118.525
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: 434
Temperature: 1.250000
Total energy: -1154.134085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.134085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.134085 (E_RNA)
where:
Base-Base interactions energy: -700.286
where: short stacking energy: -347.860
Base-Backbone interact. energy: -1.986
local terms energy: -451.862213
where:
bonds (distance) C4'-P energy: -98.146
bonds (distance) P-C4' energy: -117.826
flat angles C4'-P-C4' energy: -114.881
flat angles P-C4'-P energy: -55.818
tors. eta vs tors. theta energy: -65.192
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: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1066.135842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.135842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.135842 (E_RNA)
where:
Base-Base interactions energy: -638.847
where: short stacking energy: -313.643
Base-Backbone interact. energy: 9.585
local terms energy: -436.873547
where:
bonds (distance) C4'-P energy: -110.610
bonds (distance) P-C4' energy: -106.588
flat angles C4'-P-C4' energy: -101.253
flat angles P-C4'-P energy: -72.603
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: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -904.262766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.262766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.262766 (E_RNA)
where:
Base-Base interactions energy: -516.458
where: short stacking energy: -238.137
Base-Backbone interact. energy: -2.660
local terms energy: -385.144703
where:
bonds (distance) C4'-P energy: -90.079
bonds (distance) P-C4' energy: -114.953
flat angles C4'-P-C4' energy: -113.435
flat angles P-C4'-P energy: -53.000
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2306.141633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.141633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.141633 (E_RNA)
where:
Base-Base interactions energy: -1598.794
where: short stacking energy: -703.025
Base-Backbone interact. energy: 0.541
local terms energy: -707.887717
where:
bonds (distance) C4'-P energy: -129.893
bonds (distance) P-C4' energy: -129.267
flat angles C4'-P-C4' energy: -144.365
flat angles P-C4'-P energy: -96.608
tors. eta vs tors. theta energy: -207.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2275.970054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.970054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.970054 (E_RNA)
where:
Base-Base interactions energy: -1539.140
where: short stacking energy: -671.791
Base-Backbone interact. energy: -2.490
local terms energy: -734.339778
where:
bonds (distance) C4'-P energy: -129.967
bonds (distance) P-C4' energy: -141.382
flat angles C4'-P-C4' energy: -145.876
flat angles P-C4'-P energy: -104.065
tors. eta vs tors. theta energy: -213.049
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: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2212.912459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.912459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.912459 (E_RNA)
where:
Base-Base interactions energy: -1530.494
where: short stacking energy: -656.659
Base-Backbone interact. energy: 0.128
local terms energy: -682.546238
where:
bonds (distance) C4'-P energy: -122.542
bonds (distance) P-C4' energy: -120.428
flat angles C4'-P-C4' energy: -157.930
flat angles P-C4'-P energy: -97.659
tors. eta vs tors. theta energy: -183.987
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: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2051.865206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.865206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.865206 (E_RNA)
where:
Base-Base interactions energy: -1374.945
where: short stacking energy: -594.918
Base-Backbone interact. energy: -2.844
local terms energy: -674.076087
where:
bonds (distance) C4'-P energy: -114.719
bonds (distance) P-C4' energy: -136.589
flat angles C4'-P-C4' energy: -126.074
flat angles P-C4'-P energy: -111.375
tors. eta vs tors. theta energy: -185.319
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: 435
Temperature: 1.100000
Total energy: -1888.166664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.166664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.166664 (E_RNA)
where:
Base-Base interactions energy: -1277.399
where: short stacking energy: -534.503
Base-Backbone interact. energy: -2.069
local terms energy: -608.698620
where:
bonds (distance) C4'-P energy: -113.041
bonds (distance) P-C4' energy: -110.964
flat angles C4'-P-C4' energy: -140.665
flat angles P-C4'-P energy: -94.445
tors. eta vs tors. theta energy: -149.583
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: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1716.275304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.275304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.275304 (E_RNA)
where:
Base-Base interactions energy: -1148.549
where: short stacking energy: -474.587
Base-Backbone interact. energy: -2.011
local terms energy: -565.714617
where:
bonds (distance) C4'-P energy: -114.979
bonds (distance) P-C4' energy: -112.693
flat angles C4'-P-C4' energy: -126.564
flat angles P-C4'-P energy: -95.105
tors. eta vs tors. theta energy: -116.374
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: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1649.592569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.592569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.592569 (E_RNA)
where:
Base-Base interactions energy: -1097.959
where: short stacking energy: -493.741
Base-Backbone interact. energy: -1.436
local terms energy: -550.197985
where:
bonds (distance) C4'-P energy: -102.907
bonds (distance) P-C4' energy: -108.971
flat angles C4'-P-C4' energy: -128.805
flat angles P-C4'-P energy: -77.077
tors. eta vs tors. theta energy: -132.439
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: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1144.209246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.209246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.209246 (E_RNA)
where:
Base-Base interactions energy: -689.092
where: short stacking energy: -335.855
Base-Backbone interact. energy: 1.319
local terms energy: -456.436175
where:
bonds (distance) C4'-P energy: -102.135
bonds (distance) P-C4' energy: -128.296
flat angles C4'-P-C4' energy: -87.312
flat angles P-C4'-P energy: -83.968
tors. eta vs tors. theta energy: -54.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1050.437200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.437200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.437200 (E_RNA)
where:
Base-Base interactions energy: -635.425
where: short stacking energy: -306.140
Base-Backbone interact. energy: -0.572
local terms energy: -414.439733
where:
bonds (distance) C4'-P energy: -118.198
bonds (distance) P-C4' energy: -92.087
flat angles C4'-P-C4' energy: -101.729
flat angles P-C4'-P energy: -57.349
tors. eta vs tors. theta energy: -45.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -873.560603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.560603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.560603 (E_RNA)
where:
Base-Base interactions energy: -468.384
where: short stacking energy: -236.980
Base-Backbone interact. energy: -2.557
local terms energy: -402.619957
where:
bonds (distance) C4'-P energy: -100.106
bonds (distance) P-C4' energy: -117.375
flat angles C4'-P-C4' energy: -97.204
flat angles P-C4'-P energy: -75.022
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2336.849559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.849559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.849559 (E_RNA)
where:
Base-Base interactions energy: -1584.235
where: short stacking energy: -679.219
Base-Backbone interact. energy: -1.826
local terms energy: -750.788491
where:
bonds (distance) C4'-P energy: -129.132
bonds (distance) P-C4' energy: -136.858
flat angles C4'-P-C4' energy: -151.860
flat angles P-C4'-P energy: -118.655
tors. eta vs tors. theta energy: -214.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2266.986869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.986869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.986869 (E_RNA)
where:
Base-Base interactions energy: -1548.833
where: short stacking energy: -694.193
Base-Backbone interact. energy: -3.523
local terms energy: -714.630894
where:
bonds (distance) C4'-P energy: -125.588
bonds (distance) P-C4' energy: -127.556
flat angles C4'-P-C4' energy: -151.008
flat angles P-C4'-P energy: -94.453
tors. eta vs tors. theta energy: -216.026
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: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2205.984358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.984358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.984358 (E_RNA)
where:
Base-Base interactions energy: -1504.391
where: short stacking energy: -662.576
Base-Backbone interact. energy: -1.518
local terms energy: -700.075018
where:
bonds (distance) C4'-P energy: -140.172
bonds (distance) P-C4' energy: -132.431
flat angles C4'-P-C4' energy: -136.546
flat angles P-C4'-P energy: -101.456
tors. eta vs tors. theta energy: -189.470
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: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2108.646784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.646784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.646784 (E_RNA)
where:
Base-Base interactions energy: -1451.891
where: short stacking energy: -617.985
Base-Backbone interact. energy: -0.526
local terms energy: -656.230161
where:
bonds (distance) C4'-P energy: -130.715
bonds (distance) P-C4' energy: -122.455
flat angles C4'-P-C4' energy: -152.057
flat angles P-C4'-P energy: -79.580
tors. eta vs tors. theta energy: -171.423
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: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1862.201315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.201315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.201315 (E_RNA)
where:
Base-Base interactions energy: -1246.343
where: short stacking energy: -522.785
Base-Backbone interact. energy: 2.760
local terms energy: -618.618044
where:
bonds (distance) C4'-P energy: -111.864
bonds (distance) P-C4' energy: -124.258
flat angles C4'-P-C4' energy: -138.750
flat angles P-C4'-P energy: -97.412
tors. eta vs tors. theta energy: -146.334
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: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1723.594155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.594155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.594155 (E_RNA)
where:
Base-Base interactions energy: -1175.622
where: short stacking energy: -494.075
Base-Backbone interact. energy: 0.983
local terms energy: -548.955538
where:
bonds (distance) C4'-P energy: -104.686
bonds (distance) P-C4' energy: -104.297
flat angles C4'-P-C4' energy: -136.382
flat angles P-C4'-P energy: -73.682
tors. eta vs tors. theta energy: -129.909
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: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1604.141363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.141363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.141363 (E_RNA)
where:
Base-Base interactions energy: -1067.055
where: short stacking energy: -449.974
Base-Backbone interact. energy: -3.197
local terms energy: -533.889708
where:
bonds (distance) C4'-P energy: -98.431
bonds (distance) P-C4' energy: -116.620
flat angles C4'-P-C4' energy: -126.266
flat angles P-C4'-P energy: -84.309
tors. eta vs tors. theta energy: -108.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1121.242228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.242228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.242228 (E_RNA)
where:
Base-Base interactions energy: -668.520
where: short stacking energy: -319.673
Base-Backbone interact. energy: -2.284
local terms energy: -450.438695
where:
bonds (distance) C4'-P energy: -105.126
bonds (distance) P-C4' energy: -97.297
flat angles C4'-P-C4' energy: -116.432
flat angles P-C4'-P energy: -78.510
tors. eta vs tors. theta energy: -53.073
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: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1003.084233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.084233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.084233 (E_RNA)
where:
Base-Base interactions energy: -578.324
where: short stacking energy: -280.997
Base-Backbone interact. energy: -3.302
local terms energy: -421.458561
where:
bonds (distance) C4'-P energy: -101.500
bonds (distance) P-C4' energy: -121.930
flat angles C4'-P-C4' energy: -95.106
flat angles P-C4'-P energy: -48.633
tors. eta vs tors. theta energy: -54.290
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: 436
Temperature: 1.350000
Total energy: -865.933786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.933786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.933786 (E_RNA)
where:
Base-Base interactions energy: -472.090
where: short stacking energy: -231.530
Base-Backbone interact. energy: 4.015
local terms energy: -397.858556
where:
bonds (distance) C4'-P energy: -103.282
bonds (distance) P-C4' energy: -100.486
flat angles C4'-P-C4' energy: -125.489
flat angles P-C4'-P energy: -51.790
tors. eta vs tors. theta energy: -16.811
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: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2328.453828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.453828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.453828 (E_RNA)
where:
Base-Base interactions energy: -1611.612
where: short stacking energy: -692.102
Base-Backbone interact. energy: -2.988
local terms energy: -713.853799
where:
bonds (distance) C4'-P energy: -130.943
bonds (distance) P-C4' energy: -136.005
flat angles C4'-P-C4' energy: -147.352
flat angles P-C4'-P energy: -98.101
tors. eta vs tors. theta energy: -201.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2257.146443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.146443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.146443 (E_RNA)
where:
Base-Base interactions energy: -1556.473
where: short stacking energy: -667.302
Base-Backbone interact. energy: -0.671
local terms energy: -700.002760
where:
bonds (distance) C4'-P energy: -137.031
bonds (distance) P-C4' energy: -123.615
flat angles C4'-P-C4' energy: -139.046
flat angles P-C4'-P energy: -93.764
tors. eta vs tors. theta energy: -206.547
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: 437
Temperature: 1.000000
Total energy: -2198.772605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.772605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.772605 (E_RNA)
where:
Base-Base interactions energy: -1513.392
where: short stacking energy: -644.370
Base-Backbone interact. energy: 4.319
local terms energy: -689.699828
where:
bonds (distance) C4'-P energy: -120.359
bonds (distance) P-C4' energy: -134.801
flat angles C4'-P-C4' energy: -148.667
flat angles P-C4'-P energy: -89.755
tors. eta vs tors. theta energy: -196.118
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: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2093.117998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.117998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.117998 (E_RNA)
where:
Base-Base interactions energy: -1427.831
where: short stacking energy: -616.788
Base-Backbone interact. energy: -1.738
local terms energy: -663.549440
where:
bonds (distance) C4'-P energy: -108.963
bonds (distance) P-C4' energy: -122.806
flat angles C4'-P-C4' energy: -154.547
flat angles P-C4'-P energy: -95.978
tors. eta vs tors. theta energy: -181.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1877.892730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.892730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.892730 (E_RNA)
where:
Base-Base interactions energy: -1255.356
where: short stacking energy: -558.018
Base-Backbone interact. energy: -1.781
local terms energy: -620.756183
where:
bonds (distance) C4'-P energy: -118.276
bonds (distance) P-C4' energy: -116.684
flat angles C4'-P-C4' energy: -137.081
flat angles P-C4'-P energy: -85.783
tors. eta vs tors. theta energy: -162.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1739.866576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.866576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.866576 (E_RNA)
where:
Base-Base interactions energy: -1183.655
where: short stacking energy: -505.801
Base-Backbone interact. energy: -0.119
local terms energy: -556.091825
where:
bonds (distance) C4'-P energy: -111.986
bonds (distance) P-C4' energy: -108.217
flat angles C4'-P-C4' energy: -123.492
flat angles P-C4'-P energy: -79.307
tors. eta vs tors. theta energy: -133.089
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: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1553.509800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.509800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.509800 (E_RNA)
where:
Base-Base interactions energy: -1018.692
where: short stacking energy: -479.699
Base-Backbone interact. energy: -1.964
local terms energy: -532.853955
where:
bonds (distance) C4'-P energy: -106.624
bonds (distance) P-C4' energy: -121.865
flat angles C4'-P-C4' energy: -124.938
flat angles P-C4'-P energy: -61.131
tors. eta vs tors. theta energy: -118.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1127.074946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.074946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.074946 (E_RNA)
where:
Base-Base interactions energy: -715.902
where: short stacking energy: -376.312
Base-Backbone interact. energy: 4.833
local terms energy: -416.006270
where:
bonds (distance) C4'-P energy: -85.376
bonds (distance) P-C4' energy: -100.785
flat angles C4'-P-C4' energy: -111.631
flat angles P-C4'-P energy: -51.806
tors. eta vs tors. theta energy: -66.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -963.057221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.057221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.057221 (E_RNA)
where:
Base-Base interactions energy: -562.036
where: short stacking energy: -299.937
Base-Backbone interact. energy: 0.721
local terms energy: -401.741821
where:
bonds (distance) C4'-P energy: -112.348
bonds (distance) P-C4' energy: -105.246
flat angles C4'-P-C4' energy: -91.892
flat angles P-C4'-P energy: -59.193
tors. eta vs tors. theta energy: -33.063
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: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -833.107339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.107339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.107339 (E_RNA)
where:
Base-Base interactions energy: -475.712
where: short stacking energy: -249.893
Base-Backbone interact. energy: -1.749
local terms energy: -355.646028
where:
bonds (distance) C4'-P energy: -108.578
bonds (distance) P-C4' energy: -101.027
flat angles C4'-P-C4' energy: -83.836
flat angles P-C4'-P energy: -53.696
tors. eta vs tors. theta energy: -8.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2329.527859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.527859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.527859 (E_RNA)
where:
Base-Base interactions energy: -1592.292
where: short stacking energy: -673.781
Base-Backbone interact. energy: -2.220
local terms energy: -735.016206
where:
bonds (distance) C4'-P energy: -146.560
bonds (distance) P-C4' energy: -121.450
flat angles C4'-P-C4' energy: -148.089
flat angles P-C4'-P energy: -111.576
tors. eta vs tors. theta energy: -207.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2252.064970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.064970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.064970 (E_RNA)
where:
Base-Base interactions energy: -1543.854
where: short stacking energy: -686.937
Base-Backbone interact. energy: 2.251
local terms energy: -710.462105
where:
bonds (distance) C4'-P energy: -132.067
bonds (distance) P-C4' energy: -133.099
flat angles C4'-P-C4' energy: -145.016
flat angles P-C4'-P energy: -99.912
tors. eta vs tors. theta energy: -200.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2200.383733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.383733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.383733 (E_RNA)
where:
Base-Base interactions energy: -1506.948
where: short stacking energy: -639.707
Base-Backbone interact. energy: -0.953
local terms energy: -692.481927
where:
bonds (distance) C4'-P energy: -120.741
bonds (distance) P-C4' energy: -120.479
flat angles C4'-P-C4' energy: -143.897
flat angles P-C4'-P energy: -107.509
tors. eta vs tors. theta energy: -199.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2093.966957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.966957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.966957 (E_RNA)
where:
Base-Base interactions energy: -1432.890
where: short stacking energy: -612.224
Base-Backbone interact. energy: -1.620
local terms energy: -659.457275
where:
bonds (distance) C4'-P energy: -114.785
bonds (distance) P-C4' energy: -123.077
flat angles C4'-P-C4' energy: -147.944
flat angles P-C4'-P energy: -104.589
tors. eta vs tors. theta energy: -169.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1884.051028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.051028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.051028 (E_RNA)
where:
Base-Base interactions energy: -1248.802
where: short stacking energy: -525.358
Base-Backbone interact. energy: -0.439
local terms energy: -634.809548
where:
bonds (distance) C4'-P energy: -123.061
bonds (distance) P-C4' energy: -131.992
flat angles C4'-P-C4' energy: -139.159
flat angles P-C4'-P energy: -85.142
tors. eta vs tors. theta energy: -155.456
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: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1738.029995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.029995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.029995 (E_RNA)
where:
Base-Base interactions energy: -1154.905
where: short stacking energy: -493.062
Base-Backbone interact. energy: -3.250
local terms energy: -579.874982
where:
bonds (distance) C4'-P energy: -115.626
bonds (distance) P-C4' energy: -111.824
flat angles C4'-P-C4' energy: -135.744
flat angles P-C4'-P energy: -74.544
tors. eta vs tors. theta energy: -142.137
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: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1586.391747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.391747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.391747 (E_RNA)
where:
Base-Base interactions energy: -1015.412
where: short stacking energy: -449.916
Base-Backbone interact. energy: -3.046
local terms energy: -567.933144
where:
bonds (distance) C4'-P energy: -120.120
bonds (distance) P-C4' energy: -123.363
flat angles C4'-P-C4' energy: -129.527
flat angles P-C4'-P energy: -80.056
tors. eta vs tors. theta energy: -114.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1153.957638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.957638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.957638 (E_RNA)
where:
Base-Base interactions energy: -712.637
where: short stacking energy: -333.556
Base-Backbone interact. energy: 2.315
local terms energy: -443.634798
where:
bonds (distance) C4'-P energy: -109.734
bonds (distance) P-C4' energy: -97.186
flat angles C4'-P-C4' energy: -116.272
flat angles P-C4'-P energy: -69.144
tors. eta vs tors. theta energy: -51.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -918.990082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.990082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.990082 (E_RNA)
where:
Base-Base interactions energy: -526.700
where: short stacking energy: -274.971
Base-Backbone interact. energy: -1.044
local terms energy: -391.245669
where:
bonds (distance) C4'-P energy: -106.271
bonds (distance) P-C4' energy: -94.662
flat angles C4'-P-C4' energy: -106.497
flat angles P-C4'-P energy: -55.423
tors. eta vs tors. theta energy: -28.393
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: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -847.254360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.254360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.254360 (E_RNA)
where:
Base-Base interactions energy: -485.785
where: short stacking energy: -257.655
Base-Backbone interact. energy: 1.107
local terms energy: -362.576214
where:
bonds (distance) C4'-P energy: -98.800
bonds (distance) P-C4' energy: -107.762
flat angles C4'-P-C4' energy: -83.363
flat angles P-C4'-P energy: -49.522
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2353.657310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.657310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.657310 (E_RNA)
where:
Base-Base interactions energy: -1612.674
where: short stacking energy: -713.207
Base-Backbone interact. energy: -2.712
local terms energy: -738.271979
where:
bonds (distance) C4'-P energy: -131.726
bonds (distance) P-C4' energy: -129.781
flat angles C4'-P-C4' energy: -153.886
flat angles P-C4'-P energy: -108.486
tors. eta vs tors. theta energy: -214.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2265.057026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.057026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.057026 (E_RNA)
where:
Base-Base interactions energy: -1554.052
where: short stacking energy: -674.987
Base-Backbone interact. energy: -1.677
local terms energy: -709.328593
where:
bonds (distance) C4'-P energy: -127.817
bonds (distance) P-C4' energy: -133.689
flat angles C4'-P-C4' energy: -142.156
flat angles P-C4'-P energy: -103.389
tors. eta vs tors. theta energy: -202.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2234.454005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.454005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.454005 (E_RNA)
where:
Base-Base interactions energy: -1536.049
where: short stacking energy: -663.359
Base-Backbone interact. energy: -0.816
local terms energy: -697.588398
where:
bonds (distance) C4'-P energy: -133.413
bonds (distance) P-C4' energy: -112.525
flat angles C4'-P-C4' energy: -147.193
flat angles P-C4'-P energy: -109.952
tors. eta vs tors. theta energy: -194.505
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: 439
Temperature: 1.050000
Total energy: -2068.675572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.675572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.675572 (E_RNA)
where:
Base-Base interactions energy: -1407.522
where: short stacking energy: -596.251
Base-Backbone interact. energy: -1.768
local terms energy: -659.385031
where:
bonds (distance) C4'-P energy: -124.426
bonds (distance) P-C4' energy: -133.623
flat angles C4'-P-C4' energy: -150.746
flat angles P-C4'-P energy: -89.864
tors. eta vs tors. theta energy: -160.726
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: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1943.229128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.229128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.229128 (E_RNA)
where:
Base-Base interactions energy: -1329.419
where: short stacking energy: -553.543
Base-Backbone interact. energy: -3.203
local terms energy: -610.607774
where:
bonds (distance) C4'-P energy: -117.396
bonds (distance) P-C4' energy: -124.018
flat angles C4'-P-C4' energy: -133.458
flat angles P-C4'-P energy: -71.497
tors. eta vs tors. theta energy: -164.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1737.744941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.744941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.744941 (E_RNA)
where:
Base-Base interactions energy: -1187.471
where: short stacking energy: -505.635
Base-Backbone interact. energy: 3.104
local terms energy: -553.378391
where:
bonds (distance) C4'-P energy: -115.456
bonds (distance) P-C4' energy: -113.695
flat angles C4'-P-C4' energy: -127.434
flat angles P-C4'-P energy: -70.037
tors. eta vs tors. theta energy: -126.757
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: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1594.824458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.824458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.824458 (E_RNA)
where:
Base-Base interactions energy: -1055.071
where: short stacking energy: -443.947
Base-Backbone interact. energy: -0.493
local terms energy: -539.259882
where:
bonds (distance) C4'-P energy: -100.020
bonds (distance) P-C4' energy: -122.409
flat angles C4'-P-C4' energy: -117.978
flat angles P-C4'-P energy: -73.743
tors. eta vs tors. theta energy: -125.109
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: 439
Temperature: 1.250000
Total energy: -1182.854419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.854419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.854419 (E_RNA)
where:
Base-Base interactions energy: -730.174
where: short stacking energy: -372.011
Base-Backbone interact. energy: -0.767
local terms energy: -451.913609
where:
bonds (distance) C4'-P energy: -102.326
bonds (distance) P-C4' energy: -112.033
flat angles C4'-P-C4' energy: -102.261
flat angles P-C4'-P energy: -68.295
tors. eta vs tors. theta energy: -66.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -885.596891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.596891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.596891 (E_RNA)
where:
Base-Base interactions energy: -512.689
where: short stacking energy: -264.367
Base-Backbone interact. energy: 1.804
local terms energy: -374.711638
where:
bonds (distance) C4'-P energy: -103.968
bonds (distance) P-C4' energy: -107.079
flat angles C4'-P-C4' energy: -85.176
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -888.378365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.378365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.378365 (E_RNA)
where:
Base-Base interactions energy: -485.269
where: short stacking energy: -243.445
Base-Backbone interact. energy: 2.662
local terms energy: -405.770984
where:
bonds (distance) C4'-P energy: -101.166
bonds (distance) P-C4' energy: -114.246
flat angles C4'-P-C4' energy: -124.421
flat angles P-C4'-P energy: -61.914
tors. eta vs tors. theta energy: -4.025
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: 440
Temperature: 0.900000
Total energy: -2351.155193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.155193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.155193 (E_RNA)
where:
Base-Base interactions energy: -1615.414
where: short stacking energy: -717.301
Base-Backbone interact. energy: -2.308
local terms energy: -733.433419
where:
bonds (distance) C4'-P energy: -128.911
bonds (distance) P-C4' energy: -133.537
flat angles C4'-P-C4' energy: -153.822
flat angles P-C4'-P energy: -99.573
tors. eta vs tors. theta energy: -217.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2250.442809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.442809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.442809 (E_RNA)
where:
Base-Base interactions energy: -1566.399
where: short stacking energy: -689.347
Base-Backbone interact. energy: -1.769
local terms energy: -682.274126
where:
bonds (distance) C4'-P energy: -110.783
bonds (distance) P-C4' energy: -113.563
flat angles C4'-P-C4' energy: -155.015
flat angles P-C4'-P energy: -105.480
tors. eta vs tors. theta energy: -197.434
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: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2220.896036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.896036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.896036 (E_RNA)
where:
Base-Base interactions energy: -1526.654
where: short stacking energy: -657.956
Base-Backbone interact. energy: -2.690
local terms energy: -691.552132
where:
bonds (distance) C4'-P energy: -125.363
bonds (distance) P-C4' energy: -116.275
flat angles C4'-P-C4' energy: -154.729
flat angles P-C4'-P energy: -100.208
tors. eta vs tors. theta energy: -194.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2061.144136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.144136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.144136 (E_RNA)
where:
Base-Base interactions energy: -1418.268
where: short stacking energy: -624.410
Base-Backbone interact. energy: 3.346
local terms energy: -646.223040
where:
bonds (distance) C4'-P energy: -128.471
bonds (distance) P-C4' energy: -130.354
flat angles C4'-P-C4' energy: -131.553
flat angles P-C4'-P energy: -88.458
tors. eta vs tors. theta energy: -167.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1911.661326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.661326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.661326 (E_RNA)
where:
Base-Base interactions energy: -1282.049
where: short stacking energy: -535.734
Base-Backbone interact. energy: -2.394
local terms energy: -627.218380
where:
bonds (distance) C4'-P energy: -122.508
bonds (distance) P-C4' energy: -131.042
flat angles C4'-P-C4' energy: -136.513
flat angles P-C4'-P energy: -85.466
tors. eta vs tors. theta energy: -151.689
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: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1724.944618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.944618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.944618 (E_RNA)
where:
Base-Base interactions energy: -1170.363
where: short stacking energy: -520.701
Base-Backbone interact. energy: 2.501
local terms energy: -557.082927
where:
bonds (distance) C4'-P energy: -85.506
bonds (distance) P-C4' energy: -120.442
flat angles C4'-P-C4' energy: -116.539
flat angles P-C4'-P energy: -87.275
tors. eta vs tors. theta energy: -147.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1591.959792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.959792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.959792 (E_RNA)
where:
Base-Base interactions energy: -1037.533
where: short stacking energy: -426.051
Base-Backbone interact. energy: -0.661
local terms energy: -553.766193
where:
bonds (distance) C4'-P energy: -104.404
bonds (distance) P-C4' energy: -135.599
flat angles C4'-P-C4' energy: -117.928
flat angles P-C4'-P energy: -73.565
tors. eta vs tors. theta energy: -122.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1139.874123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.874123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.874123 (E_RNA)
where:
Base-Base interactions energy: -701.937
where: short stacking energy: -330.198
Base-Backbone interact. energy: 0.192
local terms energy: -438.128732
where:
bonds (distance) C4'-P energy: -94.374
bonds (distance) P-C4' energy: -114.461
flat angles C4'-P-C4' energy: -112.998
flat angles P-C4'-P energy: -61.026
tors. eta vs tors. theta energy: -55.269
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: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -950.177292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.177292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.177292 (E_RNA)
where:
Base-Base interactions energy: -547.228
where: short stacking energy: -248.584
Base-Backbone interact. energy: -1.203
local terms energy: -401.745567
where:
bonds (distance) C4'-P energy: -113.275
bonds (distance) P-C4' energy: -108.207
flat angles C4'-P-C4' energy: -90.812
flat angles P-C4'-P energy: -69.956
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -883.327031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.327031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.327031 (E_RNA)
where:
Base-Base interactions energy: -470.908
where: short stacking energy: -235.939
Base-Backbone interact. energy: 0.608
local terms energy: -413.026482
where:
bonds (distance) C4'-P energy: -110.734
bonds (distance) P-C4' energy: -119.998
flat angles C4'-P-C4' energy: -82.703
flat angles P-C4'-P energy: -69.902
tors. eta vs tors. theta energy: -29.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2326.829580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.829580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.829580 (E_RNA)
where:
Base-Base interactions energy: -1571.251
where: short stacking energy: -693.243
Base-Backbone interact. energy: 1.899
local terms energy: -757.478056
where:
bonds (distance) C4'-P energy: -136.836
bonds (distance) P-C4' energy: -140.010
flat angles C4'-P-C4' energy: -154.016
flat angles P-C4'-P energy: -106.003
tors. eta vs tors. theta energy: -220.613
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: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2272.482770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.482770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.482770 (E_RNA)
where:
Base-Base interactions energy: -1573.096
where: short stacking energy: -661.978
Base-Backbone interact. energy: -2.428
local terms energy: -696.958432
where:
bonds (distance) C4'-P energy: -124.521
bonds (distance) P-C4' energy: -134.081
flat angles C4'-P-C4' energy: -152.709
flat angles P-C4'-P energy: -94.453
tors. eta vs tors. theta energy: -191.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2191.867006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.867006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.867006 (E_RNA)
where:
Base-Base interactions energy: -1498.721
where: short stacking energy: -658.242
Base-Backbone interact. energy: -1.558
local terms energy: -691.587593
where:
bonds (distance) C4'-P energy: -125.414
bonds (distance) P-C4' energy: -132.248
flat angles C4'-P-C4' energy: -145.351
flat angles P-C4'-P energy: -93.987
tors. eta vs tors. theta energy: -194.586
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: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2090.789391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.789391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.789391 (E_RNA)
where:
Base-Base interactions energy: -1417.262
where: short stacking energy: -630.117
Base-Backbone interact. energy: -3.510
local terms energy: -670.017313
where:
bonds (distance) C4'-P energy: -122.583
bonds (distance) P-C4' energy: -128.900
flat angles C4'-P-C4' energy: -138.834
flat angles P-C4'-P energy: -95.689
tors. eta vs tors. theta energy: -184.012
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: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1886.512257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.512257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.512257 (E_RNA)
where:
Base-Base interactions energy: -1251.996
where: short stacking energy: -554.068
Base-Backbone interact. energy: -1.350
local terms energy: -633.166342
where:
bonds (distance) C4'-P energy: -116.022
bonds (distance) P-C4' energy: -124.839
flat angles C4'-P-C4' energy: -136.279
flat angles P-C4'-P energy: -100.327
tors. eta vs tors. theta energy: -155.700
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: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1765.753716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.753716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.753716 (E_RNA)
where:
Base-Base interactions energy: -1188.772
where: short stacking energy: -507.404
Base-Backbone interact. energy: 2.778
local terms energy: -579.759181
where:
bonds (distance) C4'-P energy: -113.650
bonds (distance) P-C4' energy: -106.169
flat angles C4'-P-C4' energy: -124.036
flat angles P-C4'-P energy: -89.438
tors. eta vs tors. theta energy: -146.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1583.262750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.262750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.262750 (E_RNA)
where:
Base-Base interactions energy: -1030.620
where: short stacking energy: -456.301
Base-Backbone interact. energy: -3.936
local terms energy: -548.705827
where:
bonds (distance) C4'-P energy: -112.156
bonds (distance) P-C4' energy: -125.138
flat angles C4'-P-C4' energy: -120.869
flat angles P-C4'-P energy: -79.443
tors. eta vs tors. theta energy: -111.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1005.869559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.869559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.869559 (E_RNA)
where:
Base-Base interactions energy: -558.010
where: short stacking energy: -311.024
Base-Backbone interact. energy: -2.317
local terms energy: -445.542580
where:
bonds (distance) C4'-P energy: -116.981
bonds (distance) P-C4' energy: -109.287
flat angles C4'-P-C4' energy: -108.825
flat angles P-C4'-P energy: -63.773
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: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1002.209581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.209581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.209581 (E_RNA)
where:
Base-Base interactions energy: -653.713
where: short stacking energy: -272.902
Base-Backbone interact. energy: 2.823
local terms energy: -351.319639
where:
bonds (distance) C4'-P energy: -86.941
bonds (distance) P-C4' energy: -93.947
flat angles C4'-P-C4' energy: -104.760
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: -24.172
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: 441
Temperature: 1.350000
Total energy: -805.069798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.069798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.069798 (E_RNA)
where:
Base-Base interactions energy: -438.375
where: short stacking energy: -201.739
Base-Backbone interact. energy: 3.230
local terms energy: -369.924713
where:
bonds (distance) C4'-P energy: -126.581
bonds (distance) P-C4' energy: -94.199
flat angles C4'-P-C4' energy: -90.673
flat angles P-C4'-P energy: -53.979
tors. eta vs tors. theta energy: -4.493
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: 442
Temperature: 0.900000
Total energy: -2317.775582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.775582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.775582 (E_RNA)
where:
Base-Base interactions energy: -1592.897
where: short stacking energy: -705.794
Base-Backbone interact. energy: -2.100
local terms energy: -722.778746
where:
bonds (distance) C4'-P energy: -143.003
bonds (distance) P-C4' energy: -123.447
flat angles C4'-P-C4' energy: -146.430
flat angles P-C4'-P energy: -98.020
tors. eta vs tors. theta energy: -211.879
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: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2248.962521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.962521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.962521 (E_RNA)
where:
Base-Base interactions energy: -1557.065
where: short stacking energy: -640.935
Base-Backbone interact. energy: 0.430
local terms energy: -692.327689
where:
bonds (distance) C4'-P energy: -141.080
bonds (distance) P-C4' energy: -128.356
flat angles C4'-P-C4' energy: -145.261
flat angles P-C4'-P energy: -96.408
tors. eta vs tors. theta energy: -181.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2225.900426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.900426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.900426 (E_RNA)
where:
Base-Base interactions energy: -1533.703
where: short stacking energy: -659.900
Base-Backbone interact. energy: -3.315
local terms energy: -688.882308
where:
bonds (distance) C4'-P energy: -112.085
bonds (distance) P-C4' energy: -141.442
flat angles C4'-P-C4' energy: -147.976
flat angles P-C4'-P energy: -90.621
tors. eta vs tors. theta energy: -196.758
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: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2078.225837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.225837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.225837 (E_RNA)
where:
Base-Base interactions energy: -1419.459
where: short stacking energy: -612.866
Base-Backbone interact. energy: -2.016
local terms energy: -656.750647
where:
bonds (distance) C4'-P energy: -137.991
bonds (distance) P-C4' energy: -109.528
flat angles C4'-P-C4' energy: -152.565
flat angles P-C4'-P energy: -80.880
tors. eta vs tors. theta energy: -175.786
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: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1918.743366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.743366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.743366 (E_RNA)
where:
Base-Base interactions energy: -1302.674
where: short stacking energy: -573.812
Base-Backbone interact. energy: 2.407
local terms energy: -618.477277
where:
bonds (distance) C4'-P energy: -107.419
bonds (distance) P-C4' energy: -107.451
flat angles C4'-P-C4' energy: -134.608
flat angles P-C4'-P energy: -88.745
tors. eta vs tors. theta energy: -180.254
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: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1737.951920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.951920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.951920 (E_RNA)
where:
Base-Base interactions energy: -1182.321
where: short stacking energy: -506.610
Base-Backbone interact. energy: 3.181
local terms energy: -558.811477
where:
bonds (distance) C4'-P energy: -128.568
bonds (distance) P-C4' energy: -95.224
flat angles C4'-P-C4' energy: -124.723
flat angles P-C4'-P energy: -71.649
tors. eta vs tors. theta energy: -138.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1603.318958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.318958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.318958 (E_RNA)
where:
Base-Base interactions energy: -1069.162
where: short stacking energy: -475.783
Base-Backbone interact. energy: 0.021
local terms energy: -534.178315
where:
bonds (distance) C4'-P energy: -102.566
bonds (distance) P-C4' energy: -112.107
flat angles C4'-P-C4' energy: -123.127
flat angles P-C4'-P energy: -76.868
tors. eta vs tors. theta energy: -119.511
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: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1057.973697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.973697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.973697 (E_RNA)
where:
Base-Base interactions energy: -622.060
where: short stacking energy: -310.197
Base-Backbone interact. energy: -1.423
local terms energy: -434.490044
where:
bonds (distance) C4'-P energy: -112.854
bonds (distance) P-C4' energy: -103.596
flat angles C4'-P-C4' energy: -110.672
flat angles P-C4'-P energy: -62.464
tors. eta vs tors. theta energy: -44.905
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: 442
Temperature: 1.300000
Total energy: -1065.103958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.103958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.103958 (E_RNA)
where:
Base-Base interactions energy: -630.193
where: short stacking energy: -327.521
Base-Backbone interact. energy: -0.148
local terms energy: -434.762657
where:
bonds (distance) C4'-P energy: -106.872
bonds (distance) P-C4' energy: -126.361
flat angles C4'-P-C4' energy: -104.603
flat angles P-C4'-P energy: -55.577
tors. eta vs tors. theta energy: -41.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -847.453106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.453106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.453106 (E_RNA)
where:
Base-Base interactions energy: -468.579
where: short stacking energy: -231.257
Base-Backbone interact. energy: 0.645
local terms energy: -379.518534
where:
bonds (distance) C4'-P energy: -98.210
bonds (distance) P-C4' energy: -121.277
flat angles C4'-P-C4' energy: -103.263
flat angles P-C4'-P energy: -48.215
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: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2317.654303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.654303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.654303 (E_RNA)
where:
Base-Base interactions energy: -1588.631
where: short stacking energy: -702.047
Base-Backbone interact. energy: -1.910
local terms energy: -727.112751
where:
bonds (distance) C4'-P energy: -126.698
bonds (distance) P-C4' energy: -131.635
flat angles C4'-P-C4' energy: -161.212
flat angles P-C4'-P energy: -94.223
tors. eta vs tors. theta energy: -213.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2251.819045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.819045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.819045 (E_RNA)
where:
Base-Base interactions energy: -1535.151
where: short stacking energy: -673.858
Base-Backbone interact. energy: -2.211
local terms energy: -714.457034
where:
bonds (distance) C4'-P energy: -125.281
bonds (distance) P-C4' energy: -133.674
flat angles C4'-P-C4' energy: -156.393
flat angles P-C4'-P energy: -110.326
tors. eta vs tors. theta energy: -188.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2176.996833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.996833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.996833 (E_RNA)
where:
Base-Base interactions energy: -1492.424
where: short stacking energy: -652.665
Base-Backbone interact. energy: -2.726
local terms energy: -681.846910
where:
bonds (distance) C4'-P energy: -143.932
bonds (distance) P-C4' energy: -110.929
flat angles C4'-P-C4' energy: -140.828
flat angles P-C4'-P energy: -98.038
tors. eta vs tors. theta energy: -188.120
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: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2049.949962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.949962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.949962 (E_RNA)
where:
Base-Base interactions energy: -1389.708
where: short stacking energy: -611.336
Base-Backbone interact. energy: -2.432
local terms energy: -657.809481
where:
bonds (distance) C4'-P energy: -112.288
bonds (distance) P-C4' energy: -126.712
flat angles C4'-P-C4' energy: -142.259
flat angles P-C4'-P energy: -96.006
tors. eta vs tors. theta energy: -180.545
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: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1921.730906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.730906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.730906 (E_RNA)
where:
Base-Base interactions energy: -1290.227
where: short stacking energy: -562.663
Base-Backbone interact. energy: -1.716
local terms energy: -629.787822
where:
bonds (distance) C4'-P energy: -104.862
bonds (distance) P-C4' energy: -129.477
flat angles C4'-P-C4' energy: -131.771
flat angles P-C4'-P energy: -92.867
tors. eta vs tors. theta energy: -170.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1761.032638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.032638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.032638 (E_RNA)
where:
Base-Base interactions energy: -1202.746
where: short stacking energy: -510.856
Base-Backbone interact. energy: 1.708
local terms energy: -559.993934
where:
bonds (distance) C4'-P energy: -101.913
bonds (distance) P-C4' energy: -124.258
flat angles C4'-P-C4' energy: -118.028
flat angles P-C4'-P energy: -74.426
tors. eta vs tors. theta energy: -141.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1655.861135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.861135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.861135 (E_RNA)
where:
Base-Base interactions energy: -1087.052
where: short stacking energy: -478.842
Base-Backbone interact. energy: -1.250
local terms energy: -567.559566
where:
bonds (distance) C4'-P energy: -101.823
bonds (distance) P-C4' energy: -135.140
flat angles C4'-P-C4' energy: -125.116
flat angles P-C4'-P energy: -70.502
tors. eta vs tors. theta energy: -134.979
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: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1175.253690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.253690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.253690 (E_RNA)
where:
Base-Base interactions energy: -725.165
where: short stacking energy: -369.508
Base-Backbone interact. energy: 3.545
local terms energy: -453.633182
where:
bonds (distance) C4'-P energy: -99.168
bonds (distance) P-C4' energy: -105.990
flat angles C4'-P-C4' energy: -106.439
flat angles P-C4'-P energy: -68.837
tors. eta vs tors. theta energy: -73.199
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: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -965.482030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.482030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.482030 (E_RNA)
where:
Base-Base interactions energy: -567.891
where: short stacking energy: -278.371
Base-Backbone interact. energy: -1.000
local terms energy: -396.590691
where:
bonds (distance) C4'-P energy: -105.355
bonds (distance) P-C4' energy: -125.638
flat angles C4'-P-C4' energy: -109.822
flat angles P-C4'-P energy: -42.888
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -889.459500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.459500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.459500 (E_RNA)
where:
Base-Base interactions energy: -498.614
where: short stacking energy: -250.540
Base-Backbone interact. energy: 3.728
local terms energy: -394.573291
where:
bonds (distance) C4'-P energy: -108.291
bonds (distance) P-C4' energy: -104.141
flat angles C4'-P-C4' energy: -111.127
flat angles P-C4'-P energy: -48.835
tors. eta vs tors. theta energy: -22.179
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: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2332.353501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.353501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.353501 (E_RNA)
where:
Base-Base interactions energy: -1589.274
where: short stacking energy: -694.234
Base-Backbone interact. energy: -1.469
local terms energy: -741.610043
where:
bonds (distance) C4'-P energy: -148.279
bonds (distance) P-C4' energy: -120.614
flat angles C4'-P-C4' energy: -161.359
flat angles P-C4'-P energy: -98.209
tors. eta vs tors. theta energy: -213.149
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: 444
Temperature: 0.950000
Total energy: -2246.143805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.143805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.143805 (E_RNA)
where:
Base-Base interactions energy: -1568.412
where: short stacking energy: -658.734
Base-Backbone interact. energy: -1.836
local terms energy: -675.894952
where:
bonds (distance) C4'-P energy: -119.944
bonds (distance) P-C4' energy: -128.700
flat angles C4'-P-C4' energy: -143.656
flat angles P-C4'-P energy: -100.861
tors. eta vs tors. theta energy: -182.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2175.066040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.066040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.066040 (E_RNA)
where:
Base-Base interactions energy: -1476.637
where: short stacking energy: -640.716
Base-Backbone interact. energy: -5.559
local terms energy: -692.869348
where:
bonds (distance) C4'-P energy: -129.104
bonds (distance) P-C4' energy: -117.804
flat angles C4'-P-C4' energy: -154.223
flat angles P-C4'-P energy: -97.813
tors. eta vs tors. theta energy: -193.925
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: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2095.036891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.036891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.036891 (E_RNA)
where:
Base-Base interactions energy: -1458.554
where: short stacking energy: -613.503
Base-Backbone interact. energy: 5.632
local terms energy: -642.114615
where:
bonds (distance) C4'-P energy: -111.472
bonds (distance) P-C4' energy: -118.367
flat angles C4'-P-C4' energy: -147.216
flat angles P-C4'-P energy: -97.662
tors. eta vs tors. theta energy: -167.397
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: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1916.439026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.439026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.439026 (E_RNA)
where:
Base-Base interactions energy: -1296.309
where: short stacking energy: -579.239
Base-Backbone interact. energy: 1.145
local terms energy: -621.275509
where:
bonds (distance) C4'-P energy: -120.728
bonds (distance) P-C4' energy: -122.928
flat angles C4'-P-C4' energy: -118.019
flat angles P-C4'-P energy: -80.586
tors. eta vs tors. theta energy: -179.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1749.745244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.745244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.745244 (E_RNA)
where:
Base-Base interactions energy: -1189.082
where: short stacking energy: -507.860
Base-Backbone interact. energy: -1.337
local terms energy: -559.326103
where:
bonds (distance) C4'-P energy: -97.481
bonds (distance) P-C4' energy: -114.391
flat angles C4'-P-C4' energy: -130.783
flat angles P-C4'-P energy: -80.411
tors. eta vs tors. theta energy: -136.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1660.302666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.302666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.302666 (E_RNA)
where:
Base-Base interactions energy: -1096.280
where: short stacking energy: -460.209
Base-Backbone interact. energy: 1.013
local terms energy: -565.035175
where:
bonds (distance) C4'-P energy: -110.668
bonds (distance) P-C4' energy: -121.787
flat angles C4'-P-C4' energy: -139.079
flat angles P-C4'-P energy: -79.782
tors. eta vs tors. theta energy: -113.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1155.010212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.010212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.010212 (E_RNA)
where:
Base-Base interactions energy: -702.521
where: short stacking energy: -331.396
Base-Backbone interact. energy: 1.035
local terms energy: -453.523622
where:
bonds (distance) C4'-P energy: -117.551
bonds (distance) P-C4' energy: -115.929
flat angles C4'-P-C4' energy: -94.414
flat angles P-C4'-P energy: -73.161
tors. eta vs tors. theta energy: -52.469
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: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1011.087538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.087538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.087538 (E_RNA)
where:
Base-Base interactions energy: -597.963
where: short stacking energy: -302.174
Base-Backbone interact. energy: -3.300
local terms energy: -409.824244
where:
bonds (distance) C4'-P energy: -93.734
bonds (distance) P-C4' energy: -114.554
flat angles C4'-P-C4' energy: -118.516
flat angles P-C4'-P energy: -55.431
tors. eta vs tors. theta energy: -27.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -876.433919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.433919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.433919 (E_RNA)
where:
Base-Base interactions energy: -512.609
where: short stacking energy: -291.070
Base-Backbone interact. energy: 2.168
local terms energy: -365.993326
where:
bonds (distance) C4'-P energy: -100.950
bonds (distance) P-C4' energy: -114.008
flat angles C4'-P-C4' energy: -77.729
flat angles P-C4'-P energy: -64.883
tors. eta vs tors. theta energy: -8.423
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: 445
Temperature: 0.900000
Total energy: -2341.420612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.420612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.420612 (E_RNA)
where:
Base-Base interactions energy: -1615.748
where: short stacking energy: -701.361
Base-Backbone interact. energy: -3.177
local terms energy: -722.495237
where:
bonds (distance) C4'-P energy: -129.672
bonds (distance) P-C4' energy: -123.838
flat angles C4'-P-C4' energy: -152.939
flat angles P-C4'-P energy: -97.288
tors. eta vs tors. theta energy: -218.759
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: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2249.878156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.878156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.878156 (E_RNA)
where:
Base-Base interactions energy: -1561.365
where: short stacking energy: -673.706
Base-Backbone interact. energy: -0.469
local terms energy: -688.044029
where:
bonds (distance) C4'-P energy: -137.955
bonds (distance) P-C4' energy: -125.216
flat angles C4'-P-C4' energy: -144.379
flat angles P-C4'-P energy: -82.022
tors. eta vs tors. theta energy: -198.472
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: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2182.707800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.707800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.707800 (E_RNA)
where:
Base-Base interactions energy: -1499.867
where: short stacking energy: -636.894
Base-Backbone interact. energy: -1.531
local terms energy: -681.309529
where:
bonds (distance) C4'-P energy: -114.595
bonds (distance) P-C4' energy: -127.520
flat angles C4'-P-C4' energy: -148.446
flat angles P-C4'-P energy: -98.256
tors. eta vs tors. theta energy: -192.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2087.975067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.975067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.975067 (E_RNA)
where:
Base-Base interactions energy: -1450.341
where: short stacking energy: -633.602
Base-Backbone interact. energy: 4.820
local terms energy: -642.453127
where:
bonds (distance) C4'-P energy: -113.217
bonds (distance) P-C4' energy: -124.245
flat angles C4'-P-C4' energy: -141.645
flat angles P-C4'-P energy: -84.278
tors. eta vs tors. theta energy: -179.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1912.909882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.909882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.909882 (E_RNA)
where:
Base-Base interactions energy: -1300.625
where: short stacking energy: -565.388
Base-Backbone interact. energy: 0.454
local terms energy: -612.738788
where:
bonds (distance) C4'-P energy: -110.084
bonds (distance) P-C4' energy: -119.565
flat angles C4'-P-C4' energy: -133.397
flat angles P-C4'-P energy: -77.303
tors. eta vs tors. theta energy: -172.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1748.897095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.897095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.897095 (E_RNA)
where:
Base-Base interactions energy: -1178.923
where: short stacking energy: -500.778
Base-Backbone interact. energy: -3.120
local terms energy: -566.854252
where:
bonds (distance) C4'-P energy: -109.168
bonds (distance) P-C4' energy: -113.265
flat angles C4'-P-C4' energy: -126.073
flat angles P-C4'-P energy: -79.776
tors. eta vs tors. theta energy: -138.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1705.517931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.517931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.517931 (E_RNA)
where:
Base-Base interactions energy: -1157.067
where: short stacking energy: -504.816
Base-Backbone interact. energy: 0.138
local terms energy: -548.588830
where:
bonds (distance) C4'-P energy: -111.788
bonds (distance) P-C4' energy: -103.016
flat angles C4'-P-C4' energy: -113.731
flat angles P-C4'-P energy: -85.470
tors. eta vs tors. theta energy: -134.584
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: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1181.790081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.790081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.790081 (E_RNA)
where:
Base-Base interactions energy: -715.176
where: short stacking energy: -352.374
Base-Backbone interact. energy: -2.900
local terms energy: -463.713682
where:
bonds (distance) C4'-P energy: -88.746
bonds (distance) P-C4' energy: -120.433
flat angles C4'-P-C4' energy: -118.986
flat angles P-C4'-P energy: -83.970
tors. eta vs tors. theta energy: -51.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -941.446141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.446141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.446141 (E_RNA)
where:
Base-Base interactions energy: -567.522
where: short stacking energy: -261.473
Base-Backbone interact. energy: -1.374
local terms energy: -372.549892
where:
bonds (distance) C4'-P energy: -113.185
bonds (distance) P-C4' energy: -94.257
flat angles C4'-P-C4' energy: -83.621
flat angles P-C4'-P energy: -63.117
tors. eta vs tors. theta energy: -18.370
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: 445
Temperature: 1.350000
Total energy: -894.466760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.466760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.466760 (E_RNA)
where:
Base-Base interactions energy: -496.934
where: short stacking energy: -264.827
Base-Backbone interact. energy: 0.868
local terms energy: -398.400701
where:
bonds (distance) C4'-P energy: -97.552
bonds (distance) P-C4' energy: -129.201
flat angles C4'-P-C4' energy: -96.248
flat angles P-C4'-P energy: -46.770
tors. eta vs tors. theta energy: -28.629
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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2332.471480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.471480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.471480 (E_RNA)
where:
Base-Base interactions energy: -1606.580
where: short stacking energy: -691.704
Base-Backbone interact. energy: -3.057
local terms energy: -722.834321
where:
bonds (distance) C4'-P energy: -134.334
bonds (distance) P-C4' energy: -135.353
flat angles C4'-P-C4' energy: -147.486
flat angles P-C4'-P energy: -104.090
tors. eta vs tors. theta energy: -201.571
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: 446
Temperature: 0.950000
Total energy: -2224.740104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.740104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.740104 (E_RNA)
where:
Base-Base interactions energy: -1560.010
where: short stacking energy: -654.402
Base-Backbone interact. energy: -2.675
local terms energy: -662.055520
where:
bonds (distance) C4'-P energy: -118.621
bonds (distance) P-C4' energy: -118.984
flat angles C4'-P-C4' energy: -152.552
flat angles P-C4'-P energy: -94.829
tors. eta vs tors. theta energy: -177.069
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: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2164.826625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.826625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.826625 (E_RNA)
where:
Base-Base interactions energy: -1493.660
where: short stacking energy: -647.829
Base-Backbone interact. energy: -2.826
local terms energy: -668.340491
where:
bonds (distance) C4'-P energy: -120.983
bonds (distance) P-C4' energy: -125.329
flat angles C4'-P-C4' energy: -137.713
flat angles P-C4'-P energy: -90.405
tors. eta vs tors. theta energy: -193.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2043.545880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.545880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.545880 (E_RNA)
where:
Base-Base interactions energy: -1393.393
where: short stacking energy: -587.238
Base-Backbone interact. energy: 0.311
local terms energy: -650.464681
where:
bonds (distance) C4'-P energy: -141.057
bonds (distance) P-C4' energy: -122.226
flat angles C4'-P-C4' energy: -132.814
flat angles P-C4'-P energy: -90.572
tors. eta vs tors. theta energy: -163.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1874.647827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.647827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.647827 (E_RNA)
where:
Base-Base interactions energy: -1253.996
where: short stacking energy: -555.852
Base-Backbone interact. energy: 1.428
local terms energy: -622.079758
where:
bonds (distance) C4'-P energy: -120.784
bonds (distance) P-C4' energy: -118.236
flat angles C4'-P-C4' energy: -139.972
flat angles P-C4'-P energy: -84.587
tors. eta vs tors. theta energy: -158.500
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: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1736.613148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.613148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.613148 (E_RNA)
where:
Base-Base interactions energy: -1139.252
where: short stacking energy: -495.099
Base-Backbone interact. energy: -4.408
local terms energy: -592.953168
where:
bonds (distance) C4'-P energy: -105.359
bonds (distance) P-C4' energy: -124.377
flat angles C4'-P-C4' energy: -122.807
flat angles P-C4'-P energy: -90.028
tors. eta vs tors. theta energy: -150.382
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: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1686.641983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.641983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.641983 (E_RNA)
where:
Base-Base interactions energy: -1156.371
where: short stacking energy: -501.831
Base-Backbone interact. energy: -1.227
local terms energy: -529.044877
where:
bonds (distance) C4'-P energy: -87.212
bonds (distance) P-C4' energy: -101.856
flat angles C4'-P-C4' energy: -116.602
flat angles P-C4'-P energy: -91.729
tors. eta vs tors. theta energy: -131.646
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: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1127.657893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.657893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.657893 (E_RNA)
where:
Base-Base interactions energy: -640.901
where: short stacking energy: -313.880
Base-Backbone interact. energy: -1.124
local terms energy: -485.632698
where:
bonds (distance) C4'-P energy: -125.224
bonds (distance) P-C4' energy: -104.749
flat angles C4'-P-C4' energy: -120.779
flat angles P-C4'-P energy: -80.487
tors. eta vs tors. theta energy: -54.394
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: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -967.650795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.650795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.650795 (E_RNA)
where:
Base-Base interactions energy: -554.475
where: short stacking energy: -263.053
Base-Backbone interact. energy: -1.359
local terms energy: -411.816231
where:
bonds (distance) C4'-P energy: -112.995
bonds (distance) P-C4' energy: -105.763
flat angles C4'-P-C4' energy: -93.416
flat angles P-C4'-P energy: -63.215
tors. eta vs tors. theta energy: -36.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -885.665648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.665648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.665648 (E_RNA)
where:
Base-Base interactions energy: -513.328
where: short stacking energy: -273.261
Base-Backbone interact. energy: -1.591
local terms energy: -370.746169
where:
bonds (distance) C4'-P energy: -107.724
bonds (distance) P-C4' energy: -90.893
flat angles C4'-P-C4' energy: -91.208
flat angles P-C4'-P energy: -60.852
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2316.521189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.521189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.521189 (E_RNA)
where:
Base-Base interactions energy: -1567.392
where: short stacking energy: -686.993
Base-Backbone interact. energy: -3.522
local terms energy: -745.606718
where:
bonds (distance) C4'-P energy: -124.755
bonds (distance) P-C4' energy: -141.998
flat angles C4'-P-C4' energy: -152.621
flat angles P-C4'-P energy: -114.865
tors. eta vs tors. theta energy: -211.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2185.171198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.171198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.171198 (E_RNA)
where:
Base-Base interactions energy: -1505.769
where: short stacking energy: -641.220
Base-Backbone interact. energy: 0.168
local terms energy: -679.570082
where:
bonds (distance) C4'-P energy: -127.612
bonds (distance) P-C4' energy: -110.470
flat angles C4'-P-C4' energy: -144.253
flat angles P-C4'-P energy: -102.213
tors. eta vs tors. theta energy: -195.021
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: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2204.481639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.481639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.481639 (E_RNA)
where:
Base-Base interactions energy: -1512.449
where: short stacking energy: -632.512
Base-Backbone interact. energy: 4.277
local terms energy: -696.309465
where:
bonds (distance) C4'-P energy: -137.360
bonds (distance) P-C4' energy: -132.258
flat angles C4'-P-C4' energy: -140.873
flat angles P-C4'-P energy: -94.814
tors. eta vs tors. theta energy: -191.005
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: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2026.775042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.775042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.775042 (E_RNA)
where:
Base-Base interactions energy: -1391.979
where: short stacking energy: -581.317
Base-Backbone interact. energy: -2.409
local terms energy: -632.386853
where:
bonds (distance) C4'-P energy: -121.917
bonds (distance) P-C4' energy: -131.579
flat angles C4'-P-C4' energy: -130.027
flat angles P-C4'-P energy: -86.656
tors. eta vs tors. theta energy: -162.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1889.624810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.624810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.624810 (E_RNA)
where:
Base-Base interactions energy: -1280.969
where: short stacking energy: -548.968
Base-Backbone interact. energy: -5.427
local terms energy: -603.228648
where:
bonds (distance) C4'-P energy: -113.610
bonds (distance) P-C4' energy: -123.326
flat angles C4'-P-C4' energy: -115.475
flat angles P-C4'-P energy: -89.844
tors. eta vs tors. theta energy: -160.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1721.603345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.603345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.603345 (E_RNA)
where:
Base-Base interactions energy: -1148.350
where: short stacking energy: -487.439
Base-Backbone interact. energy: 1.240
local terms energy: -574.493982
where:
bonds (distance) C4'-P energy: -102.673
bonds (distance) P-C4' energy: -118.039
flat angles C4'-P-C4' energy: -136.106
flat angles P-C4'-P energy: -88.020
tors. eta vs tors. theta energy: -129.657
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: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1618.225768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.225768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.225768 (E_RNA)
where:
Base-Base interactions energy: -1064.286
where: short stacking energy: -449.584
Base-Backbone interact. energy: 0.502
local terms energy: -554.441831
where:
bonds (distance) C4'-P energy: -105.661
bonds (distance) P-C4' energy: -117.698
flat angles C4'-P-C4' energy: -124.071
flat angles P-C4'-P energy: -81.466
tors. eta vs tors. theta energy: -125.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1053.621316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.621316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.621316 (E_RNA)
where:
Base-Base interactions energy: -618.688
where: short stacking energy: -297.722
Base-Backbone interact. energy: -1.877
local terms energy: -433.056572
where:
bonds (distance) C4'-P energy: -126.589
bonds (distance) P-C4' energy: -113.405
flat angles C4'-P-C4' energy: -115.203
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -35.963
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: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1095.020732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.020732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.020732 (E_RNA)
where:
Base-Base interactions energy: -640.230
where: short stacking energy: -309.422
Base-Backbone interact. energy: 2.573
local terms energy: -457.364066
where:
bonds (distance) C4'-P energy: -120.846
bonds (distance) P-C4' energy: -114.030
flat angles C4'-P-C4' energy: -102.352
flat angles P-C4'-P energy: -75.818
tors. eta vs tors. theta energy: -44.318
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: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -863.944243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.944243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.944243 (E_RNA)
where:
Base-Base interactions energy: -482.009
where: short stacking energy: -248.357
Base-Backbone interact. energy: -1.430
local terms energy: -380.505931
where:
bonds (distance) C4'-P energy: -95.337
bonds (distance) P-C4' energy: -111.216
flat angles C4'-P-C4' energy: -107.984
flat angles P-C4'-P energy: -61.302
tors. eta vs tors. theta energy: -4.666
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: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2317.083669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.083669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.083669 (E_RNA)
where:
Base-Base interactions energy: -1579.583
where: short stacking energy: -685.652
Base-Backbone interact. energy: -1.299
local terms energy: -736.202021
where:
bonds (distance) C4'-P energy: -141.726
bonds (distance) P-C4' energy: -126.357
flat angles C4'-P-C4' energy: -159.582
flat angles P-C4'-P energy: -96.659
tors. eta vs tors. theta energy: -211.879
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: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2247.906419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.906419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.906419 (E_RNA)
where:
Base-Base interactions energy: -1545.256
where: short stacking energy: -683.872
Base-Backbone interact. energy: -1.992
local terms energy: -700.659013
where:
bonds (distance) C4'-P energy: -127.344
bonds (distance) P-C4' energy: -124.930
flat angles C4'-P-C4' energy: -133.016
flat angles P-C4'-P energy: -102.548
tors. eta vs tors. theta energy: -212.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2193.465507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.465507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.465507 (E_RNA)
where:
Base-Base interactions energy: -1513.349
where: short stacking energy: -634.404
Base-Backbone interact. energy: -1.422
local terms energy: -678.694212
where:
bonds (distance) C4'-P energy: -117.864
bonds (distance) P-C4' energy: -117.134
flat angles C4'-P-C4' energy: -150.980
flat angles P-C4'-P energy: -107.217
tors. eta vs tors. theta energy: -185.498
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: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2031.437569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.437569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.437569 (E_RNA)
where:
Base-Base interactions energy: -1395.249
where: short stacking energy: -575.488
Base-Backbone interact. energy: -2.183
local terms energy: -634.005171
where:
bonds (distance) C4'-P energy: -110.033
bonds (distance) P-C4' energy: -129.277
flat angles C4'-P-C4' energy: -145.904
flat angles P-C4'-P energy: -85.314
tors. eta vs tors. theta energy: -163.477
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: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1952.895966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.895966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.895966 (E_RNA)
where:
Base-Base interactions energy: -1295.363
where: short stacking energy: -577.984
Base-Backbone interact. energy: -2.011
local terms energy: -655.521943
where:
bonds (distance) C4'-P energy: -128.214
bonds (distance) P-C4' energy: -119.578
flat angles C4'-P-C4' energy: -131.932
flat angles P-C4'-P energy: -99.460
tors. eta vs tors. theta energy: -176.338
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: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1744.809348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.809348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.809348 (E_RNA)
where:
Base-Base interactions energy: -1139.620
where: short stacking energy: -479.493
Base-Backbone interact. energy: -1.071
local terms energy: -604.118562
where:
bonds (distance) C4'-P energy: -120.194
bonds (distance) P-C4' energy: -124.492
flat angles C4'-P-C4' energy: -139.850
flat angles P-C4'-P energy: -72.638
tors. eta vs tors. theta energy: -146.945
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: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1587.199785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.199785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.199785 (E_RNA)
where:
Base-Base interactions energy: -1037.778
where: short stacking energy: -457.762
Base-Backbone interact. energy: -2.417
local terms energy: -547.004699
where:
bonds (distance) C4'-P energy: -124.856
bonds (distance) P-C4' energy: -102.941
flat angles C4'-P-C4' energy: -124.806
flat angles P-C4'-P energy: -81.465
tors. eta vs tors. theta energy: -112.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -989.739117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.739117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.739117 (E_RNA)
where:
Base-Base interactions energy: -575.735
where: short stacking energy: -266.439
Base-Backbone interact. energy: -3.659
local terms energy: -410.344980
where:
bonds (distance) C4'-P energy: -108.012
bonds (distance) P-C4' energy: -110.782
flat angles C4'-P-C4' energy: -107.889
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: -14.333
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: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1105.874588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.874588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.874588 (E_RNA)
where:
Base-Base interactions energy: -687.904
where: short stacking energy: -318.468
Base-Backbone interact. energy: -2.385
local terms energy: -415.585912
where:
bonds (distance) C4'-P energy: -107.274
bonds (distance) P-C4' energy: -112.397
flat angles C4'-P-C4' energy: -92.561
flat angles P-C4'-P energy: -50.144
tors. eta vs tors. theta energy: -53.209
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: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -871.186034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.186034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.186034 (E_RNA)
where:
Base-Base interactions energy: -501.795
where: short stacking energy: -253.238
Base-Backbone interact. energy: 2.658
local terms energy: -372.048697
where:
bonds (distance) C4'-P energy: -93.991
bonds (distance) P-C4' energy: -93.210
flat angles C4'-P-C4' energy: -95.466
flat angles P-C4'-P energy: -61.346
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2347.566477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.566477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.566477 (E_RNA)
where:
Base-Base interactions energy: -1614.532
where: short stacking energy: -693.169
Base-Backbone interact. energy: 0.999
local terms energy: -734.033547
where:
bonds (distance) C4'-P energy: -132.588
bonds (distance) P-C4' energy: -140.779
flat angles C4'-P-C4' energy: -151.941
flat angles P-C4'-P energy: -92.672
tors. eta vs tors. theta energy: -216.052
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: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2260.755391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.755391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.755391 (E_RNA)
where:
Base-Base interactions energy: -1535.179
where: short stacking energy: -683.940
Base-Backbone interact. energy: -0.743
local terms energy: -724.833017
where:
bonds (distance) C4'-P energy: -117.183
bonds (distance) P-C4' energy: -143.572
flat angles C4'-P-C4' energy: -151.026
flat angles P-C4'-P energy: -105.020
tors. eta vs tors. theta energy: -208.033
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: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2182.201519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.201519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.201519 (E_RNA)
where:
Base-Base interactions energy: -1515.069
where: short stacking energy: -624.901
Base-Backbone interact. energy: -2.280
local terms energy: -664.852489
where:
bonds (distance) C4'-P energy: -113.501
bonds (distance) P-C4' energy: -127.915
flat angles C4'-P-C4' energy: -137.207
flat angles P-C4'-P energy: -91.585
tors. eta vs tors. theta energy: -194.645
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: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2045.549794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.549794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.549794 (E_RNA)
where:
Base-Base interactions energy: -1403.707
where: short stacking energy: -596.746
Base-Backbone interact. energy: -2.148
local terms energy: -639.694730
where:
bonds (distance) C4'-P energy: -110.396
bonds (distance) P-C4' energy: -121.118
flat angles C4'-P-C4' energy: -149.133
flat angles P-C4'-P energy: -95.383
tors. eta vs tors. theta energy: -163.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1902.906361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.906361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.906361 (E_RNA)
where:
Base-Base interactions energy: -1295.873
where: short stacking energy: -547.606
Base-Backbone interact. energy: 0.281
local terms energy: -607.314210
where:
bonds (distance) C4'-P energy: -107.049
bonds (distance) P-C4' energy: -113.607
flat angles C4'-P-C4' energy: -124.985
flat angles P-C4'-P energy: -87.216
tors. eta vs tors. theta energy: -174.457
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: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1706.028535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.028535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.028535 (E_RNA)
where:
Base-Base interactions energy: -1156.039
where: short stacking energy: -500.569
Base-Backbone interact. energy: 1.455
local terms energy: -551.444253
where:
bonds (distance) C4'-P energy: -99.915
bonds (distance) P-C4' energy: -118.933
flat angles C4'-P-C4' energy: -123.612
flat angles P-C4'-P energy: -73.504
tors. eta vs tors. theta energy: -135.481
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: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1574.322754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.322754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.322754 (E_RNA)
where:
Base-Base interactions energy: -1046.934
where: short stacking energy: -460.031
Base-Backbone interact. energy: 3.383
local terms energy: -530.771201
where:
bonds (distance) C4'-P energy: -107.462
bonds (distance) P-C4' energy: -97.534
flat angles C4'-P-C4' energy: -127.028
flat angles P-C4'-P energy: -85.083
tors. eta vs tors. theta energy: -113.664
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: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1202.866705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.866705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.866705 (E_RNA)
where:
Base-Base interactions energy: -721.643
where: short stacking energy: -339.752
Base-Backbone interact. energy: -0.187
local terms energy: -481.036495
where:
bonds (distance) C4'-P energy: -110.220
bonds (distance) P-C4' energy: -125.980
flat angles C4'-P-C4' energy: -119.455
flat angles P-C4'-P energy: -72.553
tors. eta vs tors. theta energy: -52.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -971.096636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.096636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.096636 (E_RNA)
where:
Base-Base interactions energy: -560.984
where: short stacking energy: -262.909
Base-Backbone interact. energy: -2.750
local terms energy: -407.363182
where:
bonds (distance) C4'-P energy: -98.411
bonds (distance) P-C4' energy: -132.436
flat angles C4'-P-C4' energy: -93.275
flat angles P-C4'-P energy: -61.545
tors. eta vs tors. theta energy: -21.696
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: 449
Temperature: 1.350000
Total energy: -852.766431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.766431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.766431 (E_RNA)
where:
Base-Base interactions energy: -479.908
where: short stacking energy: -242.340
Base-Backbone interact. energy: 4.744
local terms energy: -377.602311
where:
bonds (distance) C4'-P energy: -106.841
bonds (distance) P-C4' energy: -83.466
flat angles C4'-P-C4' energy: -105.929
flat angles P-C4'-P energy: -68.826
tors. eta vs tors. theta energy: -12.540
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: 450
Temperature: 0.900000
Total energy: -2303.008464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.008464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.008464 (E_RNA)
where:
Base-Base interactions energy: -1579.422
where: short stacking energy: -670.538
Base-Backbone interact. energy: -3.345
local terms energy: -720.241541
where:
bonds (distance) C4'-P energy: -126.123
bonds (distance) P-C4' energy: -138.088
flat angles C4'-P-C4' energy: -141.942
flat angles P-C4'-P energy: -98.683
tors. eta vs tors. theta energy: -215.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2267.088764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.088764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.088764 (E_RNA)
where:
Base-Base interactions energy: -1540.622
where: short stacking energy: -676.305
Base-Backbone interact. energy: -0.045
local terms energy: -726.421039
where:
bonds (distance) C4'-P energy: -129.016
bonds (distance) P-C4' energy: -142.380
flat angles C4'-P-C4' energy: -148.488
flat angles P-C4'-P energy: -107.308
tors. eta vs tors. theta energy: -199.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2188.253757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.253757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.253757 (E_RNA)
where:
Base-Base interactions energy: -1515.497
where: short stacking energy: -638.447
Base-Backbone interact. energy: -0.411
local terms energy: -672.345752
where:
bonds (distance) C4'-P energy: -129.361
bonds (distance) P-C4' energy: -127.427
flat angles C4'-P-C4' energy: -138.797
flat angles P-C4'-P energy: -91.111
tors. eta vs tors. theta energy: -185.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2032.415893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.415893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.415893 (E_RNA)
where:
Base-Base interactions energy: -1392.823
where: short stacking energy: -594.177
Base-Backbone interact. energy: -0.492
local terms energy: -639.100437
where:
bonds (distance) C4'-P energy: -114.279
bonds (distance) P-C4' energy: -127.708
flat angles C4'-P-C4' energy: -138.382
flat angles P-C4'-P energy: -88.711
tors. eta vs tors. theta energy: -170.021
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: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1959.880402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.880402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.880402 (E_RNA)
where:
Base-Base interactions energy: -1324.015
where: short stacking energy: -565.894
Base-Backbone interact. energy: -3.958
local terms energy: -631.907840
where:
bonds (distance) C4'-P energy: -122.585
bonds (distance) P-C4' energy: -137.053
flat angles C4'-P-C4' energy: -126.987
flat angles P-C4'-P energy: -82.556
tors. eta vs tors. theta energy: -162.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1751.294129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.294129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.294129 (E_RNA)
where:
Base-Base interactions energy: -1158.813
where: short stacking energy: -524.688
Base-Backbone interact. energy: 4.152
local terms energy: -596.632886
where:
bonds (distance) C4'-P energy: -119.938
bonds (distance) P-C4' energy: -108.083
flat angles C4'-P-C4' energy: -133.797
flat angles P-C4'-P energy: -91.796
tors. eta vs tors. theta energy: -143.018
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: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1550.349449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.349449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.349449 (E_RNA)
where:
Base-Base interactions energy: -1040.971
where: short stacking energy: -447.796
Base-Backbone interact. energy: 2.761
local terms energy: -512.139528
where:
bonds (distance) C4'-P energy: -108.106
bonds (distance) P-C4' energy: -107.952
flat angles C4'-P-C4' energy: -118.096
flat angles P-C4'-P energy: -72.225
tors. eta vs tors. theta energy: -105.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1212.315021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.315021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.315021 (E_RNA)
where:
Base-Base interactions energy: -743.986
where: short stacking energy: -331.341
Base-Backbone interact. energy: -2.445
local terms energy: -465.883298
where:
bonds (distance) C4'-P energy: -100.811
bonds (distance) P-C4' energy: -114.461
flat angles C4'-P-C4' energy: -124.208
flat angles P-C4'-P energy: -68.215
tors. eta vs tors. theta energy: -58.188
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: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -944.033300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.033300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.033300 (E_RNA)
where:
Base-Base interactions energy: -504.385
where: short stacking energy: -252.820
Base-Backbone interact. energy: -1.643
local terms energy: -438.005552
where:
bonds (distance) C4'-P energy: -112.462
bonds (distance) P-C4' energy: -114.430
flat angles C4'-P-C4' energy: -107.153
flat angles P-C4'-P energy: -84.154
tors. eta vs tors. theta energy: -19.808
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: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -942.365706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.365706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.365706 (E_RNA)
where:
Base-Base interactions energy: -586.509
where: short stacking energy: -275.510
Base-Backbone interact. energy: -1.758
local terms energy: -354.097946
where:
bonds (distance) C4'-P energy: -110.381
bonds (distance) P-C4' energy: -96.462
flat angles C4'-P-C4' energy: -68.371
flat angles P-C4'-P energy: -70.157
tors. eta vs tors. theta energy: -8.726
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: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2306.983850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.983850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.983850 (E_RNA)
where:
Base-Base interactions energy: -1559.251
where: short stacking energy: -681.846
Base-Backbone interact. energy: -3.660
local terms energy: -744.073022
where:
bonds (distance) C4'-P energy: -136.730
bonds (distance) P-C4' energy: -137.744
flat angles C4'-P-C4' energy: -151.650
flat angles P-C4'-P energy: -110.606
tors. eta vs tors. theta energy: -207.343
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: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2242.136171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.136171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.136171 (E_RNA)
where:
Base-Base interactions energy: -1535.444
where: short stacking energy: -663.206
Base-Backbone interact. energy: -1.562
local terms energy: -705.130280
where:
bonds (distance) C4'-P energy: -130.196
bonds (distance) P-C4' energy: -129.631
flat angles C4'-P-C4' energy: -151.412
flat angles P-C4'-P energy: -90.990
tors. eta vs tors. theta energy: -202.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2169.889372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.889372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.889372 (E_RNA)
where:
Base-Base interactions energy: -1489.648
where: short stacking energy: -640.055
Base-Backbone interact. energy: -0.660
local terms energy: -679.581228
where:
bonds (distance) C4'-P energy: -121.960
bonds (distance) P-C4' energy: -127.244
flat angles C4'-P-C4' energy: -140.326
flat angles P-C4'-P energy: -105.041
tors. eta vs tors. theta energy: -185.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2018.596781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.596781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.596781 (E_RNA)
where:
Base-Base interactions energy: -1372.889
where: short stacking energy: -583.673
Base-Backbone interact. energy: 0.080
local terms energy: -645.787457
where:
bonds (distance) C4'-P energy: -130.129
bonds (distance) P-C4' energy: -133.095
flat angles C4'-P-C4' energy: -136.312
flat angles P-C4'-P energy: -80.508
tors. eta vs tors. theta energy: -165.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1912.356437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.356437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.356437 (E_RNA)
where:
Base-Base interactions energy: -1298.705
where: short stacking energy: -572.899
Base-Backbone interact. energy: 0.435
local terms energy: -614.086621
where:
bonds (distance) C4'-P energy: -110.478
bonds (distance) P-C4' energy: -118.218
flat angles C4'-P-C4' energy: -134.926
flat angles P-C4'-P energy: -82.160
tors. eta vs tors. theta energy: -168.304
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: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1705.016229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.016229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.016229 (E_RNA)
where:
Base-Base interactions energy: -1158.618
where: short stacking energy: -501.086
Base-Backbone interact. energy: 0.288
local terms energy: -546.686680
where:
bonds (distance) C4'-P energy: -118.309
bonds (distance) P-C4' energy: -108.137
flat angles C4'-P-C4' energy: -116.610
flat angles P-C4'-P energy: -68.075
tors. eta vs tors. theta energy: -135.556
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: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1585.718912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.718912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.718912 (E_RNA)
where:
Base-Base interactions energy: -1037.660
where: short stacking energy: -455.526
Base-Backbone interact. energy: -2.190
local terms energy: -545.868674
where:
bonds (distance) C4'-P energy: -119.205
bonds (distance) P-C4' energy: -104.544
flat angles C4'-P-C4' energy: -119.522
flat angles P-C4'-P energy: -88.375
tors. eta vs tors. theta energy: -114.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1205.728990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.728990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.728990 (E_RNA)
where:
Base-Base interactions energy: -765.995
where: short stacking energy: -340.568
Base-Backbone interact. energy: -2.820
local terms energy: -436.914267
where:
bonds (distance) C4'-P energy: -97.713
bonds (distance) P-C4' energy: -105.460
flat angles C4'-P-C4' energy: -104.538
flat angles P-C4'-P energy: -70.571
tors. eta vs tors. theta energy: -58.632
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: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -899.720419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.720419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.720419 (E_RNA)
where:
Base-Base interactions energy: -493.616
where: short stacking energy: -224.352
Base-Backbone interact. energy: -2.847
local terms energy: -403.257964
where:
bonds (distance) C4'-P energy: -119.464
bonds (distance) P-C4' energy: -99.663
flat angles C4'-P-C4' energy: -108.127
flat angles P-C4'-P energy: -61.495
tors. eta vs tors. theta energy: -14.508
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: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -917.000946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.000946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.000946 (E_RNA)
where:
Base-Base interactions energy: -529.503
where: short stacking energy: -254.808
Base-Backbone interact. energy: 0.701
local terms energy: -388.198723
where:
bonds (distance) C4'-P energy: -106.761
bonds (distance) P-C4' energy: -110.137
flat angles C4'-P-C4' energy: -87.872
flat angles P-C4'-P energy: -59.979
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2328.924705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.924705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.924705 (E_RNA)
where:
Base-Base interactions energy: -1593.578
where: short stacking energy: -681.579
Base-Backbone interact. energy: -2.349
local terms energy: -732.997580
where:
bonds (distance) C4'-P energy: -137.351
bonds (distance) P-C4' energy: -139.293
flat angles C4'-P-C4' energy: -138.742
flat angles P-C4'-P energy: -104.130
tors. eta vs tors. theta energy: -213.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2217.573677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.573677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.573677 (E_RNA)
where:
Base-Base interactions energy: -1544.085
where: short stacking energy: -682.876
Base-Backbone interact. energy: -1.914
local terms energy: -671.574830
where:
bonds (distance) C4'-P energy: -130.042
bonds (distance) P-C4' energy: -108.793
flat angles C4'-P-C4' energy: -143.308
flat angles P-C4'-P energy: -81.187
tors. eta vs tors. theta energy: -208.245
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: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2135.474785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.474785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.474785 (E_RNA)
where:
Base-Base interactions energy: -1502.357
where: short stacking energy: -633.411
Base-Backbone interact. energy: -2.577
local terms energy: -630.540853
where:
bonds (distance) C4'-P energy: -118.740
bonds (distance) P-C4' energy: -113.047
flat angles C4'-P-C4' energy: -138.300
flat angles P-C4'-P energy: -83.619
tors. eta vs tors. theta energy: -176.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2019.234855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.234855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.234855 (E_RNA)
where:
Base-Base interactions energy: -1351.957
where: short stacking energy: -614.798
Base-Backbone interact. energy: -2.109
local terms energy: -665.169352
where:
bonds (distance) C4'-P energy: -135.533
bonds (distance) P-C4' energy: -116.979
flat angles C4'-P-C4' energy: -142.259
flat angles P-C4'-P energy: -99.328
tors. eta vs tors. theta energy: -171.070
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: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1951.346780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.346780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.346780 (E_RNA)
where:
Base-Base interactions energy: -1283.278
where: short stacking energy: -552.582
Base-Backbone interact. energy: -0.611
local terms energy: -667.457937
where:
bonds (distance) C4'-P energy: -117.654
bonds (distance) P-C4' energy: -134.270
flat angles C4'-P-C4' energy: -143.860
flat angles P-C4'-P energy: -90.546
tors. eta vs tors. theta energy: -181.129
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: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1673.117059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.117059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.117059 (E_RNA)
where:
Base-Base interactions energy: -1118.342
where: short stacking energy: -477.845
Base-Backbone interact. energy: -0.018
local terms energy: -554.757314
where:
bonds (distance) C4'-P energy: -103.577
bonds (distance) P-C4' energy: -131.760
flat angles C4'-P-C4' energy: -123.519
flat angles P-C4'-P energy: -78.502
tors. eta vs tors. theta energy: -117.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1562.991739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.991739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.991739 (E_RNA)
where:
Base-Base interactions energy: -1038.324
where: short stacking energy: -462.337
Base-Backbone interact. energy: -1.820
local terms energy: -522.847139
where:
bonds (distance) C4'-P energy: -101.279
bonds (distance) P-C4' energy: -115.673
flat angles C4'-P-C4' energy: -109.890
flat angles P-C4'-P energy: -81.271
tors. eta vs tors. theta energy: -114.734
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: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1118.724847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.724847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.724847 (E_RNA)
where:
Base-Base interactions energy: -672.490
where: short stacking energy: -341.646
Base-Backbone interact. energy: 0.330
local terms energy: -446.564651
where:
bonds (distance) C4'-P energy: -103.218
bonds (distance) P-C4' energy: -102.294
flat angles C4'-P-C4' energy: -105.049
flat angles P-C4'-P energy: -78.891
tors. eta vs tors. theta energy: -57.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -910.375183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.375183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.375183 (E_RNA)
where:
Base-Base interactions energy: -491.087
where: short stacking energy: -264.059
Base-Backbone interact. energy: 4.631
local terms energy: -423.918851
where:
bonds (distance) C4'-P energy: -111.364
bonds (distance) P-C4' energy: -118.470
flat angles C4'-P-C4' energy: -108.405
flat angles P-C4'-P energy: -58.703
tors. eta vs tors. theta energy: -26.976
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: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -925.056295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.056295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.056295 (E_RNA)
where:
Base-Base interactions energy: -524.557
where: short stacking energy: -278.529
Base-Backbone interact. energy: 0.093
local terms energy: -400.591705
where:
bonds (distance) C4'-P energy: -109.202
bonds (distance) P-C4' energy: -99.328
flat angles C4'-P-C4' energy: -114.351
flat angles P-C4'-P energy: -66.412
tors. eta vs tors. theta energy: -11.298
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: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2350.099172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.099172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.099172 (E_RNA)
where:
Base-Base interactions energy: -1615.629
where: short stacking energy: -696.702
Base-Backbone interact. energy: -2.209
local terms energy: -732.260868
where:
bonds (distance) C4'-P energy: -136.367
bonds (distance) P-C4' energy: -129.789
flat angles C4'-P-C4' energy: -155.289
flat angles P-C4'-P energy: -104.003
tors. eta vs tors. theta energy: -206.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2231.116093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.116093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.116093 (E_RNA)
where:
Base-Base interactions energy: -1530.990
where: short stacking energy: -654.216
Base-Backbone interact. energy: -2.577
local terms energy: -697.549684
where:
bonds (distance) C4'-P energy: -138.646
bonds (distance) P-C4' energy: -131.490
flat angles C4'-P-C4' energy: -133.920
flat angles P-C4'-P energy: -97.121
tors. eta vs tors. theta energy: -196.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2154.781619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.781619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.781619 (E_RNA)
where:
Base-Base interactions energy: -1496.129
where: short stacking energy: -650.590
Base-Backbone interact. energy: 0.641
local terms energy: -659.293693
where:
bonds (distance) C4'-P energy: -116.209
bonds (distance) P-C4' energy: -116.500
flat angles C4'-P-C4' energy: -146.149
flat angles P-C4'-P energy: -95.844
tors. eta vs tors. theta energy: -184.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1999.572550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.572550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.572550 (E_RNA)
where:
Base-Base interactions energy: -1380.961
where: short stacking energy: -597.591
Base-Backbone interact. energy: -0.618
local terms energy: -617.993938
where:
bonds (distance) C4'-P energy: -134.617
bonds (distance) P-C4' energy: -122.126
flat angles C4'-P-C4' energy: -131.781
flat angles P-C4'-P energy: -74.186
tors. eta vs tors. theta energy: -155.284
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: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1939.174438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.174438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.174438 (E_RNA)
where:
Base-Base interactions energy: -1289.995
where: short stacking energy: -576.927
Base-Backbone interact. energy: -1.713
local terms energy: -647.465908
where:
bonds (distance) C4'-P energy: -127.988
bonds (distance) P-C4' energy: -117.285
flat angles C4'-P-C4' energy: -145.060
flat angles P-C4'-P energy: -82.695
tors. eta vs tors. theta energy: -174.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1725.705931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.705931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.705931 (E_RNA)
where:
Base-Base interactions energy: -1147.119
where: short stacking energy: -530.792
Base-Backbone interact. energy: -1.913
local terms energy: -576.673785
where:
bonds (distance) C4'-P energy: -96.911
bonds (distance) P-C4' energy: -137.302
flat angles C4'-P-C4' energy: -119.990
flat angles P-C4'-P energy: -86.408
tors. eta vs tors. theta energy: -136.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1653.033881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.033881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.033881 (E_RNA)
where:
Base-Base interactions energy: -1113.724
where: short stacking energy: -502.012
Base-Backbone interact. energy: -2.766
local terms energy: -536.543879
where:
bonds (distance) C4'-P energy: -112.943
bonds (distance) P-C4' energy: -103.535
flat angles C4'-P-C4' energy: -120.916
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: -129.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1176.501506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.501506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.501506 (E_RNA)
where:
Base-Base interactions energy: -735.990
where: short stacking energy: -337.071
Base-Backbone interact. energy: 0.762
local terms energy: -441.273901
where:
bonds (distance) C4'-P energy: -97.998
bonds (distance) P-C4' energy: -93.300
flat angles C4'-P-C4' energy: -114.728
flat angles P-C4'-P energy: -76.655
tors. eta vs tors. theta energy: -58.593
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: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -998.227075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.227075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.227075 (E_RNA)
where:
Base-Base interactions energy: -595.860
where: short stacking energy: -313.643
Base-Backbone interact. energy: -0.241
local terms energy: -402.126328
where:
bonds (distance) C4'-P energy: -82.645
bonds (distance) P-C4' energy: -125.245
flat angles C4'-P-C4' energy: -103.631
flat angles P-C4'-P energy: -55.880
tors. eta vs tors. theta energy: -34.725
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: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -908.679038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.679038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.679038 (E_RNA)
where:
Base-Base interactions energy: -539.115
where: short stacking energy: -239.700
Base-Backbone interact. energy: -1.561
local terms energy: -368.002880
where:
bonds (distance) C4'-P energy: -91.987
bonds (distance) P-C4' energy: -100.197
flat angles C4'-P-C4' energy: -90.213
flat angles P-C4'-P energy: -71.541
tors. eta vs tors. theta energy: -14.065
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: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2323.852159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.852159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.852159 (E_RNA)
where:
Base-Base interactions energy: -1570.421
where: short stacking energy: -708.815
Base-Backbone interact. energy: -3.646
local terms energy: -749.785787
where:
bonds (distance) C4'-P energy: -121.251
bonds (distance) P-C4' energy: -136.074
flat angles C4'-P-C4' energy: -153.800
flat angles P-C4'-P energy: -109.787
tors. eta vs tors. theta energy: -228.873
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: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2269.803044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.803044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.803044 (E_RNA)
where:
Base-Base interactions energy: -1552.893
where: short stacking energy: -671.612
Base-Backbone interact. energy: -2.634
local terms energy: -714.276371
where:
bonds (distance) C4'-P energy: -118.945
bonds (distance) P-C4' energy: -141.131
flat angles C4'-P-C4' energy: -141.437
flat angles P-C4'-P energy: -115.025
tors. eta vs tors. theta energy: -197.739
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: 454
Temperature: 1.000000
Total energy: -2176.367730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.367730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.367730 (E_RNA)
where:
Base-Base interactions energy: -1501.680
where: short stacking energy: -644.929
Base-Backbone interact. energy: -3.386
local terms energy: -671.301271
where:
bonds (distance) C4'-P energy: -133.643
bonds (distance) P-C4' energy: -123.815
flat angles C4'-P-C4' energy: -140.387
flat angles P-C4'-P energy: -85.119
tors. eta vs tors. theta energy: -188.337
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: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1963.445853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.445853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.445853 (E_RNA)
where:
Base-Base interactions energy: -1329.513
where: short stacking energy: -586.251
Base-Backbone interact. energy: -1.910
local terms energy: -632.023140
where:
bonds (distance) C4'-P energy: -123.024
bonds (distance) P-C4' energy: -131.160
flat angles C4'-P-C4' energy: -143.828
flat angles P-C4'-P energy: -80.410
tors. eta vs tors. theta energy: -153.600
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: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1934.226160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.226160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.226160 (E_RNA)
where:
Base-Base interactions energy: -1309.454
where: short stacking energy: -587.749
Base-Backbone interact. energy: 1.748
local terms energy: -626.519620
where:
bonds (distance) C4'-P energy: -117.116
bonds (distance) P-C4' energy: -108.688
flat angles C4'-P-C4' energy: -145.791
flat angles P-C4'-P energy: -79.254
tors. eta vs tors. theta energy: -175.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1677.633456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.633456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.633456 (E_RNA)
where:
Base-Base interactions energy: -1097.300
where: short stacking energy: -491.846
Base-Backbone interact. energy: -0.343
local terms energy: -579.990730
where:
bonds (distance) C4'-P energy: -127.659
bonds (distance) P-C4' energy: -109.701
flat angles C4'-P-C4' energy: -114.621
flat angles P-C4'-P energy: -88.752
tors. eta vs tors. theta energy: -139.258
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: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1713.872844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.872844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.872844 (E_RNA)
where:
Base-Base interactions energy: -1174.824
where: short stacking energy: -481.063
Base-Backbone interact. energy: 0.441
local terms energy: -539.490113
where:
bonds (distance) C4'-P energy: -114.952
bonds (distance) P-C4' energy: -121.731
flat angles C4'-P-C4' energy: -108.228
flat angles P-C4'-P energy: -65.689
tors. eta vs tors. theta energy: -128.890
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: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1140.318650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.318650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.318650 (E_RNA)
where:
Base-Base interactions energy: -723.272
where: short stacking energy: -340.730
Base-Backbone interact. energy: 1.058
local terms energy: -418.105201
where:
bonds (distance) C4'-P energy: -99.216
bonds (distance) P-C4' energy: -114.800
flat angles C4'-P-C4' energy: -111.752
flat angles P-C4'-P energy: -48.677
tors. eta vs tors. theta energy: -43.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1019.311976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.311976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.311976 (E_RNA)
where:
Base-Base interactions energy: -591.677
where: short stacking energy: -293.098
Base-Backbone interact. energy: 7.237
local terms energy: -434.871129
where:
bonds (distance) C4'-P energy: -111.871
bonds (distance) P-C4' energy: -108.060
flat angles C4'-P-C4' energy: -114.233
flat angles P-C4'-P energy: -65.038
tors. eta vs tors. theta energy: -35.669
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: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -913.731760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.731760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.731760 (E_RNA)
where:
Base-Base interactions energy: -490.067
where: short stacking energy: -250.776
Base-Backbone interact. energy: 3.457
local terms energy: -427.121471
where:
bonds (distance) C4'-P energy: -112.015
bonds (distance) P-C4' energy: -113.519
flat angles C4'-P-C4' energy: -106.784
flat angles P-C4'-P energy: -53.736
tors. eta vs tors. theta energy: -41.067
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: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2319.346309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.346309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.346309 (E_RNA)
where:
Base-Base interactions energy: -1580.707
where: short stacking energy: -691.940
Base-Backbone interact. energy: 0.135
local terms energy: -738.774340
where:
bonds (distance) C4'-P energy: -140.631
bonds (distance) P-C4' energy: -124.070
flat angles C4'-P-C4' energy: -154.482
flat angles P-C4'-P energy: -104.829
tors. eta vs tors. theta energy: -214.763
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: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2278.115233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.115233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.115233 (E_RNA)
where:
Base-Base interactions energy: -1537.913
where: short stacking energy: -679.440
Base-Backbone interact. energy: -0.989
local terms energy: -739.213087
where:
bonds (distance) C4'-P energy: -115.892
bonds (distance) P-C4' energy: -146.655
flat angles C4'-P-C4' energy: -154.246
flat angles P-C4'-P energy: -114.025
tors. eta vs tors. theta energy: -208.395
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: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2165.976242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.976242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.976242 (E_RNA)
where:
Base-Base interactions energy: -1498.914
where: short stacking energy: -614.648
Base-Backbone interact. energy: -2.011
local terms energy: -665.050516
where:
bonds (distance) C4'-P energy: -128.973
bonds (distance) P-C4' energy: -121.449
flat angles C4'-P-C4' energy: -138.976
flat angles P-C4'-P energy: -85.404
tors. eta vs tors. theta energy: -190.249
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: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2000.289777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.289777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.289777 (E_RNA)
where:
Base-Base interactions energy: -1352.715
where: short stacking energy: -594.040
Base-Backbone interact. energy: -0.734
local terms energy: -646.840599
where:
bonds (distance) C4'-P energy: -140.599
bonds (distance) P-C4' energy: -127.307
flat angles C4'-P-C4' energy: -138.528
flat angles P-C4'-P energy: -81.885
tors. eta vs tors. theta energy: -158.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1902.937998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.937998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.937998 (E_RNA)
where:
Base-Base interactions energy: -1282.562
where: short stacking energy: -569.275
Base-Backbone interact. energy: -2.914
local terms energy: -617.462412
where:
bonds (distance) C4'-P energy: -110.960
bonds (distance) P-C4' energy: -119.735
flat angles C4'-P-C4' energy: -138.100
flat angles P-C4'-P energy: -90.467
tors. eta vs tors. theta energy: -158.199
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: 455
Temperature: 1.150000
Total energy: -1797.778192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.778192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.778192 (E_RNA)
where:
Base-Base interactions energy: -1195.778
where: short stacking energy: -525.129
Base-Backbone interact. energy: -3.716
local terms energy: -598.283823
where:
bonds (distance) C4'-P energy: -125.489
bonds (distance) P-C4' energy: -116.419
flat angles C4'-P-C4' energy: -122.722
flat angles P-C4'-P energy: -80.236
tors. eta vs tors. theta energy: -153.417
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: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1664.592027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.592027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.592027 (E_RNA)
where:
Base-Base interactions energy: -1121.672
where: short stacking energy: -484.403
Base-Backbone interact. energy: 2.544
local terms energy: -545.463227
where:
bonds (distance) C4'-P energy: -120.847
bonds (distance) P-C4' energy: -100.075
flat angles C4'-P-C4' energy: -123.141
flat angles P-C4'-P energy: -80.286
tors. eta vs tors. theta energy: -121.114
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: 455
Temperature: 1.250000
Total energy: -1205.945776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.945776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.945776 (E_RNA)
where:
Base-Base interactions energy: -743.058
where: short stacking energy: -347.643
Base-Backbone interact. energy: -0.916
local terms energy: -461.971238
where:
bonds (distance) C4'-P energy: -106.768
bonds (distance) P-C4' energy: -127.626
flat angles C4'-P-C4' energy: -118.469
flat angles P-C4'-P energy: -54.386
tors. eta vs tors. theta energy: -54.722
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: 455
Temperature: 1.300000
Total energy: -1024.559424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.559424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.559424 (E_RNA)
where:
Base-Base interactions energy: -586.870
where: short stacking energy: -278.266
Base-Backbone interact. energy: -0.463
local terms energy: -437.226362
where:
bonds (distance) C4'-P energy: -117.415
bonds (distance) P-C4' energy: -124.708
flat angles C4'-P-C4' energy: -99.070
flat angles P-C4'-P energy: -65.946
tors. eta vs tors. theta energy: -30.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -897.587968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.587968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.587968 (E_RNA)
where:
Base-Base interactions energy: -511.077
where: short stacking energy: -232.191
Base-Backbone interact. energy: 0.875
local terms energy: -387.386187
where:
bonds (distance) C4'-P energy: -105.855
bonds (distance) P-C4' energy: -118.829
flat angles C4'-P-C4' energy: -99.302
flat angles P-C4'-P energy: -53.371
tors. eta vs tors. theta energy: -10.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2323.333986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.333986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.333986 (E_RNA)
where:
Base-Base interactions energy: -1589.110
where: short stacking energy: -698.119
Base-Backbone interact. energy: -3.175
local terms energy: -731.049242
where:
bonds (distance) C4'-P energy: -115.899
bonds (distance) P-C4' energy: -137.718
flat angles C4'-P-C4' energy: -164.156
flat angles P-C4'-P energy: -98.714
tors. eta vs tors. theta energy: -214.562
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: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2256.597842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.597842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.597842 (E_RNA)
where:
Base-Base interactions energy: -1558.494
where: short stacking energy: -660.024
Base-Backbone interact. energy: -0.956
local terms energy: -697.147412
where:
bonds (distance) C4'-P energy: -124.720
bonds (distance) P-C4' energy: -128.775
flat angles C4'-P-C4' energy: -139.911
flat angles P-C4'-P energy: -99.932
tors. eta vs tors. theta energy: -203.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2151.474767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.474767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.474767 (E_RNA)
where:
Base-Base interactions energy: -1476.251
where: short stacking energy: -639.437
Base-Backbone interact. energy: -3.270
local terms energy: -671.953592
where:
bonds (distance) C4'-P energy: -126.228
bonds (distance) P-C4' energy: -121.083
flat angles C4'-P-C4' energy: -145.972
flat angles P-C4'-P energy: -95.028
tors. eta vs tors. theta energy: -183.642
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: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2016.614648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.614648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.614648 (E_RNA)
where:
Base-Base interactions energy: -1346.941
where: short stacking energy: -597.230
Base-Backbone interact. energy: 0.628
local terms energy: -670.301958
where:
bonds (distance) C4'-P energy: -124.195
bonds (distance) P-C4' energy: -134.804
flat angles C4'-P-C4' energy: -144.979
flat angles P-C4'-P energy: -93.173
tors. eta vs tors. theta energy: -173.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1887.773200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.773200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.773200 (E_RNA)
where:
Base-Base interactions energy: -1270.762
where: short stacking energy: -575.616
Base-Backbone interact. energy: -2.201
local terms energy: -614.810173
where:
bonds (distance) C4'-P energy: -114.349
bonds (distance) P-C4' energy: -128.110
flat angles C4'-P-C4' energy: -123.324
flat angles P-C4'-P energy: -89.074
tors. eta vs tors. theta energy: -159.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1826.110422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.110422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.110422 (E_RNA)
where:
Base-Base interactions energy: -1229.899
where: short stacking energy: -526.359
Base-Backbone interact. energy: -2.468
local terms energy: -593.743722
where:
bonds (distance) C4'-P energy: -104.579
bonds (distance) P-C4' energy: -130.821
flat angles C4'-P-C4' energy: -127.366
flat angles P-C4'-P energy: -92.873
tors. eta vs tors. theta energy: -138.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1667.832581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.832581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.832581 (E_RNA)
where:
Base-Base interactions energy: -1106.485
where: short stacking energy: -492.392
Base-Backbone interact. energy: 0.901
local terms energy: -562.248038
where:
bonds (distance) C4'-P energy: -110.372
bonds (distance) P-C4' energy: -107.723
flat angles C4'-P-C4' energy: -122.137
flat angles P-C4'-P energy: -80.019
tors. eta vs tors. theta energy: -141.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1232.303491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.303491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.303491 (E_RNA)
where:
Base-Base interactions energy: -767.265
where: short stacking energy: -374.878
Base-Backbone interact. energy: 1.508
local terms energy: -466.545819
where:
bonds (distance) C4'-P energy: -92.339
bonds (distance) P-C4' energy: -123.135
flat angles C4'-P-C4' energy: -112.492
flat angles P-C4'-P energy: -66.180
tors. eta vs tors. theta energy: -72.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1095.696089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.696089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.696089 (E_RNA)
where:
Base-Base interactions energy: -644.095
where: short stacking energy: -305.341
Base-Backbone interact. energy: 0.380
local terms energy: -451.981077
where:
bonds (distance) C4'-P energy: -107.006
bonds (distance) P-C4' energy: -105.149
flat angles C4'-P-C4' energy: -105.806
flat angles P-C4'-P energy: -79.640
tors. eta vs tors. theta energy: -54.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -968.771639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.771639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.771639 (E_RNA)
where:
Base-Base interactions energy: -548.479
where: short stacking energy: -286.722
Base-Backbone interact. energy: -0.245
local terms energy: -420.047152
where:
bonds (distance) C4'-P energy: -94.449
bonds (distance) P-C4' energy: -125.505
flat angles C4'-P-C4' energy: -113.090
flat angles P-C4'-P energy: -52.508
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: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2338.535324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.535324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.535324 (E_RNA)
where:
Base-Base interactions energy: -1590.189
where: short stacking energy: -707.870
Base-Backbone interact. energy: -2.329
local terms energy: -746.017365
where:
bonds (distance) C4'-P energy: -125.388
bonds (distance) P-C4' energy: -146.305
flat angles C4'-P-C4' energy: -149.011
flat angles P-C4'-P energy: -107.494
tors. eta vs tors. theta energy: -217.819
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: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2242.592375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.592375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.592375 (E_RNA)
where:
Base-Base interactions energy: -1541.377
where: short stacking energy: -688.426
Base-Backbone interact. energy: -1.675
local terms energy: -699.539792
where:
bonds (distance) C4'-P energy: -119.506
bonds (distance) P-C4' energy: -122.410
flat angles C4'-P-C4' energy: -152.675
flat angles P-C4'-P energy: -100.232
tors. eta vs tors. theta energy: -204.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2222.251826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.251826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.251826 (E_RNA)
where:
Base-Base interactions energy: -1512.330
where: short stacking energy: -639.587
Base-Backbone interact. energy: -2.639
local terms energy: -707.282831
where:
bonds (distance) C4'-P energy: -129.772
bonds (distance) P-C4' energy: -137.892
flat angles C4'-P-C4' energy: -148.589
flat angles P-C4'-P energy: -101.867
tors. eta vs tors. theta energy: -189.163
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: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2042.315989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.315989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.315989 (E_RNA)
where:
Base-Base interactions energy: -1386.348
where: short stacking energy: -620.078
Base-Backbone interact. energy: 2.370
local terms energy: -658.337763
where:
bonds (distance) C4'-P energy: -116.416
bonds (distance) P-C4' energy: -125.621
flat angles C4'-P-C4' energy: -139.455
flat angles P-C4'-P energy: -104.071
tors. eta vs tors. theta energy: -172.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1919.218706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.218706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.218706 (E_RNA)
where:
Base-Base interactions energy: -1301.405
where: short stacking energy: -553.890
Base-Backbone interact. energy: -0.289
local terms energy: -617.524701
where:
bonds (distance) C4'-P energy: -122.481
bonds (distance) P-C4' energy: -119.075
flat angles C4'-P-C4' energy: -122.621
flat angles P-C4'-P energy: -88.604
tors. eta vs tors. theta energy: -164.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1811.098281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.098281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.098281 (E_RNA)
where:
Base-Base interactions energy: -1227.243
where: short stacking energy: -540.204
Base-Backbone interact. energy: -1.287
local terms energy: -582.568336
where:
bonds (distance) C4'-P energy: -119.961
bonds (distance) P-C4' energy: -125.634
flat angles C4'-P-C4' energy: -122.252
flat angles P-C4'-P energy: -67.037
tors. eta vs tors. theta energy: -147.685
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: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1629.595403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.595403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.595403 (E_RNA)
where:
Base-Base interactions energy: -1083.120
where: short stacking energy: -480.620
Base-Backbone interact. energy: 0.448
local terms energy: -546.923502
where:
bonds (distance) C4'-P energy: -103.879
bonds (distance) P-C4' energy: -122.667
flat angles C4'-P-C4' energy: -129.287
flat angles P-C4'-P energy: -77.563
tors. eta vs tors. theta energy: -113.528
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: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1168.217686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.217686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.217686 (E_RNA)
where:
Base-Base interactions energy: -714.942
where: short stacking energy: -337.531
Base-Backbone interact. energy: 2.405
local terms energy: -455.680976
where:
bonds (distance) C4'-P energy: -93.668
bonds (distance) P-C4' energy: -121.654
flat angles C4'-P-C4' energy: -113.525
flat angles P-C4'-P energy: -67.993
tors. eta vs tors. theta energy: -58.842
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: 457
Temperature: 1.300000
Total energy: -1027.716061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.716061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.716061 (E_RNA)
where:
Base-Base interactions energy: -634.590
where: short stacking energy: -281.071
Base-Backbone interact. energy: -0.401
local terms energy: -392.724794
where:
bonds (distance) C4'-P energy: -107.384
bonds (distance) P-C4' energy: -98.972
flat angles C4'-P-C4' energy: -93.853
flat angles P-C4'-P energy: -75.293
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -826.881880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.881880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.881880 (E_RNA)
where:
Base-Base interactions energy: -453.298
where: short stacking energy: -241.075
Base-Backbone interact. energy: 2.069
local terms energy: -375.652470
where:
bonds (distance) C4'-P energy: -103.961
bonds (distance) P-C4' energy: -118.650
flat angles C4'-P-C4' energy: -83.532
flat angles P-C4'-P energy: -63.361
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2328.981868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.981868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.981868 (E_RNA)
where:
Base-Base interactions energy: -1572.939
where: short stacking energy: -688.623
Base-Backbone interact. energy: -3.138
local terms energy: -752.904446
where:
bonds (distance) C4'-P energy: -141.262
bonds (distance) P-C4' energy: -144.082
flat angles C4'-P-C4' energy: -154.161
flat angles P-C4'-P energy: -100.373
tors. eta vs tors. theta energy: -213.026
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: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2241.339805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.339805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.339805 (E_RNA)
where:
Base-Base interactions energy: -1550.491
where: short stacking energy: -672.636
Base-Backbone interact. energy: -3.330
local terms energy: -687.519045
where:
bonds (distance) C4'-P energy: -117.312
bonds (distance) P-C4' energy: -125.110
flat angles C4'-P-C4' energy: -141.518
flat angles P-C4'-P energy: -102.365
tors. eta vs tors. theta energy: -201.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2159.780183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.780183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.780183 (E_RNA)
where:
Base-Base interactions energy: -1469.155
where: short stacking energy: -629.778
Base-Backbone interact. energy: -1.790
local terms energy: -688.835262
where:
bonds (distance) C4'-P energy: -136.962
bonds (distance) P-C4' energy: -124.863
flat angles C4'-P-C4' energy: -138.984
flat angles P-C4'-P energy: -91.613
tors. eta vs tors. theta energy: -196.413
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: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2002.310900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.310900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.310900 (E_RNA)
where:
Base-Base interactions energy: -1362.631
where: short stacking energy: -590.098
Base-Backbone interact. energy: -0.102
local terms energy: -639.578204
where:
bonds (distance) C4'-P energy: -112.521
bonds (distance) P-C4' energy: -126.025
flat angles C4'-P-C4' energy: -147.208
flat angles P-C4'-P energy: -93.543
tors. eta vs tors. theta energy: -160.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1852.278253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.278253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.278253 (E_RNA)
where:
Base-Base interactions energy: -1234.898
where: short stacking energy: -510.554
Base-Backbone interact. energy: 0.082
local terms energy: -617.462595
where:
bonds (distance) C4'-P energy: -114.905
bonds (distance) P-C4' energy: -134.316
flat angles C4'-P-C4' energy: -125.737
flat angles P-C4'-P energy: -96.681
tors. eta vs tors. theta energy: -145.824
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: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1780.896720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.896720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.896720 (E_RNA)
where:
Base-Base interactions energy: -1215.061
where: short stacking energy: -536.304
Base-Backbone interact. energy: 1.036
local terms energy: -566.871383
where:
bonds (distance) C4'-P energy: -103.856
bonds (distance) P-C4' energy: -118.318
flat angles C4'-P-C4' energy: -127.746
flat angles P-C4'-P energy: -83.177
tors. eta vs tors. theta energy: -133.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1643.340189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.340189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.340189 (E_RNA)
where:
Base-Base interactions energy: -1079.945
where: short stacking energy: -450.246
Base-Backbone interact. energy: 3.606
local terms energy: -567.001126
where:
bonds (distance) C4'-P energy: -122.822
bonds (distance) P-C4' energy: -122.681
flat angles C4'-P-C4' energy: -120.698
flat angles P-C4'-P energy: -72.436
tors. eta vs tors. theta energy: -128.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1244.329816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.329816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.329816 (E_RNA)
where:
Base-Base interactions energy: -761.177
where: short stacking energy: -351.265
Base-Backbone interact. energy: -0.125
local terms energy: -483.027704
where:
bonds (distance) C4'-P energy: -108.198
bonds (distance) P-C4' energy: -111.526
flat angles C4'-P-C4' energy: -132.840
flat angles P-C4'-P energy: -75.607
tors. eta vs tors. theta energy: -54.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -998.389912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.389912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.389912 (E_RNA)
where:
Base-Base interactions energy: -596.874
where: short stacking energy: -274.071
Base-Backbone interact. energy: 0.967
local terms energy: -402.483278
where:
bonds (distance) C4'-P energy: -109.543
bonds (distance) P-C4' energy: -106.018
flat angles C4'-P-C4' energy: -94.556
flat angles P-C4'-P energy: -52.466
tors. eta vs tors. theta energy: -39.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -824.686819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.686819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.686819 (E_RNA)
where:
Base-Base interactions energy: -482.834
where: short stacking energy: -235.164
Base-Backbone interact. energy: 4.732
local terms energy: -346.584368
where:
bonds (distance) C4'-P energy: -94.285
bonds (distance) P-C4' energy: -108.999
flat angles C4'-P-C4' energy: -98.617
flat angles P-C4'-P energy: -43.955
tors. eta vs tors. theta energy: -0.729
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: 1, replica: 10
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2326.117025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.117025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.117025 (E_RNA)
where:
Base-Base interactions energy: -1566.970
where: short stacking energy: -704.546
Base-Backbone interact. energy: -3.384
local terms energy: -755.762589
where:
bonds (distance) C4'-P energy: -131.749
bonds (distance) P-C4' energy: -143.012
flat angles C4'-P-C4' energy: -158.753
flat angles P-C4'-P energy: -105.773
tors. eta vs tors. theta energy: -216.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2273.238350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.238350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.238350 (E_RNA)
where:
Base-Base interactions energy: -1539.221
where: short stacking energy: -688.760
Base-Backbone interact. energy: -3.018
local terms energy: -730.999215
where:
bonds (distance) C4'-P energy: -140.146
bonds (distance) P-C4' energy: -132.099
flat angles C4'-P-C4' energy: -145.300
flat angles P-C4'-P energy: -107.030
tors. eta vs tors. theta energy: -206.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2145.748632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.748632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.748632 (E_RNA)
where:
Base-Base interactions energy: -1488.382
where: short stacking energy: -605.982
Base-Backbone interact. energy: 4.774
local terms energy: -662.140691
where:
bonds (distance) C4'-P energy: -114.913
bonds (distance) P-C4' energy: -124.507
flat angles C4'-P-C4' energy: -138.580
flat angles P-C4'-P energy: -101.173
tors. eta vs tors. theta energy: -182.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2030.666136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.666136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.666136 (E_RNA)
where:
Base-Base interactions energy: -1378.152
where: short stacking energy: -608.795
Base-Backbone interact. energy: 2.237
local terms energy: -654.751680
where:
bonds (distance) C4'-P energy: -113.336
bonds (distance) P-C4' energy: -141.756
flat angles C4'-P-C4' energy: -138.695
flat angles P-C4'-P energy: -84.985
tors. eta vs tors. theta energy: -175.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1881.575993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.575993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.575993 (E_RNA)
where:
Base-Base interactions energy: -1287.813
where: short stacking energy: -551.117
Base-Backbone interact. energy: -1.604
local terms energy: -592.158697
where:
bonds (distance) C4'-P energy: -110.801
bonds (distance) P-C4' energy: -129.403
flat angles C4'-P-C4' energy: -121.863
flat angles P-C4'-P energy: -87.929
tors. eta vs tors. theta energy: -142.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1786.493339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.493339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.493339 (E_RNA)
where:
Base-Base interactions energy: -1208.992
where: short stacking energy: -516.469
Base-Backbone interact. energy: -1.287
local terms energy: -576.214187
where:
bonds (distance) C4'-P energy: -99.050
bonds (distance) P-C4' energy: -129.674
flat angles C4'-P-C4' energy: -118.370
flat angles P-C4'-P energy: -89.111
tors. eta vs tors. theta energy: -140.009
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: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1664.521496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.521496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.521496 (E_RNA)
where:
Base-Base interactions energy: -1119.950
where: short stacking energy: -489.325
Base-Backbone interact. energy: 1.304
local terms energy: -545.875471
where:
bonds (distance) C4'-P energy: -106.226
bonds (distance) P-C4' energy: -116.115
flat angles C4'-P-C4' energy: -122.628
flat angles P-C4'-P energy: -78.484
tors. eta vs tors. theta energy: -122.423
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: 459
Temperature: 1.250000
Total energy: -1198.324436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.324436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.324436 (E_RNA)
where:
Base-Base interactions energy: -744.581
where: short stacking energy: -346.278
Base-Backbone interact. energy: -0.413
local terms energy: -453.330840
where:
bonds (distance) C4'-P energy: -101.606
bonds (distance) P-C4' energy: -123.144
flat angles C4'-P-C4' energy: -120.536
flat angles P-C4'-P energy: -53.488
tors. eta vs tors. theta energy: -54.557
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: 459
Temperature: 1.300000
Total energy: -1025.104745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.104745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.104745 (E_RNA)
where:
Base-Base interactions energy: -573.649
where: short stacking energy: -292.800
Base-Backbone interact. energy: 5.801
local terms energy: -457.256379
where:
bonds (distance) C4'-P energy: -119.591
bonds (distance) P-C4' energy: -110.298
flat angles C4'-P-C4' energy: -111.716
flat angles P-C4'-P energy: -60.864
tors. eta vs tors. theta energy: -54.788
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: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -818.895107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.895107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.895107 (E_RNA)
where:
Base-Base interactions energy: -428.884
where: short stacking energy: -247.646
Base-Backbone interact. energy: -2.105
local terms energy: -387.905888
where:
bonds (distance) C4'-P energy: -110.512
bonds (distance) P-C4' energy: -120.231
flat angles C4'-P-C4' energy: -89.666
flat angles P-C4'-P energy: -36.615
tors. eta vs tors. theta energy: -30.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2359.146612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.146612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.146612 (E_RNA)
where:
Base-Base interactions energy: -1613.017
where: short stacking energy: -703.185
Base-Backbone interact. energy: -3.933
local terms energy: -742.197293
where:
bonds (distance) C4'-P energy: -128.627
bonds (distance) P-C4' energy: -138.426
flat angles C4'-P-C4' energy: -156.395
flat angles P-C4'-P energy: -108.293
tors. eta vs tors. theta energy: -210.457
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: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2280.067316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.067316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.067316 (E_RNA)
where:
Base-Base interactions energy: -1557.945
where: short stacking energy: -691.665
Base-Backbone interact. energy: -0.999
local terms energy: -721.123036
where:
bonds (distance) C4'-P energy: -114.364
bonds (distance) P-C4' energy: -138.643
flat angles C4'-P-C4' energy: -147.873
flat angles P-C4'-P energy: -110.483
tors. eta vs tors. theta energy: -209.759
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: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2162.305535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.305535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.305535 (E_RNA)
where:
Base-Base interactions energy: -1483.097
where: short stacking energy: -603.428
Base-Backbone interact. energy: 3.496
local terms energy: -682.704830
where:
bonds (distance) C4'-P energy: -134.688
bonds (distance) P-C4' energy: -126.739
flat angles C4'-P-C4' energy: -148.140
flat angles P-C4'-P energy: -89.870
tors. eta vs tors. theta energy: -183.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2016.594823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.594823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.594823 (E_RNA)
where:
Base-Base interactions energy: -1368.905
where: short stacking energy: -593.374
Base-Backbone interact. energy: -2.893
local terms energy: -644.797385
where:
bonds (distance) C4'-P energy: -129.213
bonds (distance) P-C4' energy: -123.148
flat angles C4'-P-C4' energy: -141.965
flat angles P-C4'-P energy: -80.921
tors. eta vs tors. theta energy: -169.551
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: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1894.414084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.414084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.414084 (E_RNA)
where:
Base-Base interactions energy: -1312.697
where: short stacking energy: -542.266
Base-Backbone interact. energy: 0.375
local terms energy: -582.091614
where:
bonds (distance) C4'-P energy: -108.403
bonds (distance) P-C4' energy: -103.372
flat angles C4'-P-C4' energy: -131.059
flat angles P-C4'-P energy: -102.472
tors. eta vs tors. theta energy: -136.785
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: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1737.164038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.164038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.164038 (E_RNA)
where:
Base-Base interactions energy: -1161.546
where: short stacking energy: -512.896
Base-Backbone interact. energy: -2.131
local terms energy: -573.486865
where:
bonds (distance) C4'-P energy: -123.906
bonds (distance) P-C4' energy: -107.226
flat angles C4'-P-C4' energy: -124.385
flat angles P-C4'-P energy: -85.325
tors. eta vs tors. theta energy: -132.645
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: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1602.334960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.334960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.334960 (E_RNA)
where:
Base-Base interactions energy: -1055.585
where: short stacking energy: -473.523
Base-Backbone interact. energy: -2.967
local terms energy: -543.782979
where:
bonds (distance) C4'-P energy: -112.536
bonds (distance) P-C4' energy: -118.764
flat angles C4'-P-C4' energy: -131.497
flat angles P-C4'-P energy: -70.778
tors. eta vs tors. theta energy: -110.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1219.871717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.871717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.871717 (E_RNA)
where:
Base-Base interactions energy: -752.293
where: short stacking energy: -334.388
Base-Backbone interact. energy: -1.547
local terms energy: -466.032554
where:
bonds (distance) C4'-P energy: -116.312
bonds (distance) P-C4' energy: -122.345
flat angles C4'-P-C4' energy: -112.834
flat angles P-C4'-P energy: -58.951
tors. eta vs tors. theta energy: -55.590
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: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1000.459702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.459702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.459702 (E_RNA)
where:
Base-Base interactions energy: -593.667
where: short stacking energy: -299.938
Base-Backbone interact. energy: -0.389
local terms energy: -406.404322
where:
bonds (distance) C4'-P energy: -96.863
bonds (distance) P-C4' energy: -110.325
flat angles C4'-P-C4' energy: -112.395
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: -38.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -854.310599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.310599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.310599 (E_RNA)
where:
Base-Base interactions energy: -475.485
where: short stacking energy: -249.415
Base-Backbone interact. energy: -0.230
local terms energy: -378.596191
where:
bonds (distance) C4'-P energy: -90.169
bonds (distance) P-C4' energy: -107.797
flat angles C4'-P-C4' energy: -96.214
flat angles P-C4'-P energy: -69.004
tors. eta vs tors. theta energy: -15.412
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: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2335.043124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.043124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.043124 (E_RNA)
where:
Base-Base interactions energy: -1604.168
where: short stacking energy: -708.248
Base-Backbone interact. energy: -1.004
local terms energy: -729.871060
where:
bonds (distance) C4'-P energy: -125.291
bonds (distance) P-C4' energy: -130.187
flat angles C4'-P-C4' energy: -149.473
flat angles P-C4'-P energy: -113.479
tors. eta vs tors. theta energy: -211.440
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: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2271.174702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.174702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.174702 (E_RNA)
where:
Base-Base interactions energy: -1564.074
where: short stacking energy: -687.768
Base-Backbone interact. energy: -3.378
local terms energy: -703.722533
where:
bonds (distance) C4'-P energy: -113.347
bonds (distance) P-C4' energy: -133.026
flat angles C4'-P-C4' energy: -145.653
flat angles P-C4'-P energy: -97.605
tors. eta vs tors. theta energy: -214.091
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: 461
Temperature: 1.000000
Total energy: -2203.992973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.992973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.992973 (E_RNA)
where:
Base-Base interactions energy: -1492.511
where: short stacking energy: -640.785
Base-Backbone interact. energy: -3.129
local terms energy: -708.353456
where:
bonds (distance) C4'-P energy: -127.299
bonds (distance) P-C4' energy: -136.988
flat angles C4'-P-C4' energy: -162.994
flat angles P-C4'-P energy: -84.415
tors. eta vs tors. theta energy: -196.658
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: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2013.892885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.892885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.892885 (E_RNA)
where:
Base-Base interactions energy: -1353.981
where: short stacking energy: -579.287
Base-Backbone interact. energy: 2.381
local terms energy: -662.293360
where:
bonds (distance) C4'-P energy: -132.945
bonds (distance) P-C4' energy: -114.106
flat angles C4'-P-C4' energy: -139.032
flat angles P-C4'-P energy: -104.308
tors. eta vs tors. theta energy: -171.903
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: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1955.616805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.616805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.616805 (E_RNA)
where:
Base-Base interactions energy: -1330.227
where: short stacking energy: -587.412
Base-Backbone interact. energy: -2.474
local terms energy: -622.915858
where:
bonds (distance) C4'-P energy: -100.701
bonds (distance) P-C4' energy: -123.316
flat angles C4'-P-C4' energy: -137.955
flat angles P-C4'-P energy: -86.664
tors. eta vs tors. theta energy: -174.280
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: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1770.033430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.033430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.033430 (E_RNA)
where:
Base-Base interactions energy: -1183.792
where: short stacking energy: -517.068
Base-Backbone interact. energy: 0.395
local terms energy: -586.636256
where:
bonds (distance) C4'-P energy: -111.428
bonds (distance) P-C4' energy: -115.624
flat angles C4'-P-C4' energy: -133.539
flat angles P-C4'-P energy: -79.186
tors. eta vs tors. theta energy: -146.860
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: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1605.574917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.574917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.574917 (E_RNA)
where:
Base-Base interactions energy: -1063.517
where: short stacking energy: -480.726
Base-Backbone interact. energy: 0.310
local terms energy: -542.368002
where:
bonds (distance) C4'-P energy: -107.654
bonds (distance) P-C4' energy: -112.091
flat angles C4'-P-C4' energy: -115.837
flat angles P-C4'-P energy: -80.001
tors. eta vs tors. theta energy: -126.784
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: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1272.069896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.069896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.069896 (E_RNA)
where:
Base-Base interactions energy: -785.759
where: short stacking energy: -374.354
Base-Backbone interact. energy: -1.220
local terms energy: -485.090758
where:
bonds (distance) C4'-P energy: -104.758
bonds (distance) P-C4' energy: -110.300
flat angles C4'-P-C4' energy: -120.561
flat angles P-C4'-P energy: -75.832
tors. eta vs tors. theta energy: -73.639
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: 461
Temperature: 1.300000
Total energy: -1004.235029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.235029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.235029 (E_RNA)
where:
Base-Base interactions energy: -580.773
where: short stacking energy: -288.732
Base-Backbone interact. energy: -1.674
local terms energy: -421.788816
where:
bonds (distance) C4'-P energy: -124.215
bonds (distance) P-C4' energy: -112.263
flat angles C4'-P-C4' energy: -110.372
flat angles P-C4'-P energy: -55.568
tors. eta vs tors. theta energy: -19.370
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: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -824.642827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.642827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.642827 (E_RNA)
where:
Base-Base interactions energy: -436.135
where: short stacking energy: -218.602
Base-Backbone interact. energy: -1.118
local terms energy: -387.390071
where:
bonds (distance) C4'-P energy: -91.810
bonds (distance) P-C4' energy: -118.553
flat angles C4'-P-C4' energy: -107.258
flat angles P-C4'-P energy: -66.298
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2350.213991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.213991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.213991 (E_RNA)
where:
Base-Base interactions energy: -1620.133
where: short stacking energy: -730.278
Base-Backbone interact. energy: -3.440
local terms energy: -726.641031
where:
bonds (distance) C4'-P energy: -131.076
bonds (distance) P-C4' energy: -132.817
flat angles C4'-P-C4' energy: -150.797
flat angles P-C4'-P energy: -102.816
tors. eta vs tors. theta energy: -209.134
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: 462
Temperature: 0.950000
Total energy: -2256.786493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.786493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.786493 (E_RNA)
where:
Base-Base interactions energy: -1543.635
where: short stacking energy: -688.700
Base-Backbone interact. energy: -1.877
local terms energy: -711.274031
where:
bonds (distance) C4'-P energy: -110.023
bonds (distance) P-C4' energy: -140.293
flat angles C4'-P-C4' energy: -148.278
flat angles P-C4'-P energy: -105.714
tors. eta vs tors. theta energy: -206.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2207.809376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.809376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.809376 (E_RNA)
where:
Base-Base interactions energy: -1518.149
where: short stacking energy: -653.211
Base-Backbone interact. energy: -1.720
local terms energy: -687.939718
where:
bonds (distance) C4'-P energy: -123.886
bonds (distance) P-C4' energy: -137.298
flat angles C4'-P-C4' energy: -136.020
flat angles P-C4'-P energy: -95.180
tors. eta vs tors. theta energy: -195.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2048.261443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.261443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.261443 (E_RNA)
where:
Base-Base interactions energy: -1396.725
where: short stacking energy: -600.294
Base-Backbone interact. energy: -5.666
local terms energy: -645.870764
where:
bonds (distance) C4'-P energy: -111.724
bonds (distance) P-C4' energy: -123.688
flat angles C4'-P-C4' energy: -138.227
flat angles P-C4'-P energy: -93.642
tors. eta vs tors. theta energy: -178.589
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: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1896.508088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.508088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.508088 (E_RNA)
where:
Base-Base interactions energy: -1283.825
where: short stacking energy: -552.086
Base-Backbone interact. energy: 1.095
local terms energy: -613.778380
where:
bonds (distance) C4'-P energy: -113.739
bonds (distance) P-C4' energy: -121.329
flat angles C4'-P-C4' energy: -135.006
flat angles P-C4'-P energy: -74.183
tors. eta vs tors. theta energy: -169.522
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: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1719.413085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.413085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.413085 (E_RNA)
where:
Base-Base interactions energy: -1164.522
where: short stacking energy: -476.641
Base-Backbone interact. energy: -1.555
local terms energy: -553.335259
where:
bonds (distance) C4'-P energy: -104.414
bonds (distance) P-C4' energy: -101.794
flat angles C4'-P-C4' energy: -128.635
flat angles P-C4'-P energy: -97.409
tors. eta vs tors. theta energy: -121.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1583.617884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.617884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.617884 (E_RNA)
where:
Base-Base interactions energy: -1048.363
where: short stacking energy: -462.989
Base-Backbone interact. energy: 2.500
local terms energy: -537.754342
where:
bonds (distance) C4'-P energy: -107.794
bonds (distance) P-C4' energy: -119.196
flat angles C4'-P-C4' energy: -122.625
flat angles P-C4'-P energy: -77.875
tors. eta vs tors. theta energy: -110.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1196.761057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.761057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.761057 (E_RNA)
where:
Base-Base interactions energy: -721.474
where: short stacking energy: -333.170
Base-Backbone interact. energy: -2.046
local terms energy: -473.240777
where:
bonds (distance) C4'-P energy: -98.033
bonds (distance) P-C4' energy: -113.636
flat angles C4'-P-C4' energy: -127.517
flat angles P-C4'-P energy: -72.833
tors. eta vs tors. theta energy: -61.222
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: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1072.485223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.485223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.485223 (E_RNA)
where:
Base-Base interactions energy: -655.507
where: short stacking energy: -304.902
Base-Backbone interact. energy: -2.155
local terms energy: -414.822830
where:
bonds (distance) C4'-P energy: -109.791
bonds (distance) P-C4' energy: -100.638
flat angles C4'-P-C4' energy: -101.443
flat angles P-C4'-P energy: -61.954
tors. eta vs tors. theta energy: -40.998
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: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -794.428537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.428537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.428537 (E_RNA)
where:
Base-Base interactions energy: -442.187
where: short stacking energy: -206.729
Base-Backbone interact. energy: -2.202
local terms energy: -350.039744
where:
bonds (distance) C4'-P energy: -109.394
bonds (distance) P-C4' energy: -112.737
flat angles C4'-P-C4' energy: -91.160
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: 10.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2330.723069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.723069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.723069 (E_RNA)
where:
Base-Base interactions energy: -1585.933
where: short stacking energy: -679.060
Base-Backbone interact. energy: 0.077
local terms energy: -744.866678
where:
bonds (distance) C4'-P energy: -141.117
bonds (distance) P-C4' energy: -139.477
flat angles C4'-P-C4' energy: -155.981
flat angles P-C4'-P energy: -103.352
tors. eta vs tors. theta energy: -204.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2243.359420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.359420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.359420 (E_RNA)
where:
Base-Base interactions energy: -1513.533
where: short stacking energy: -665.146
Base-Backbone interact. energy: -2.618
local terms energy: -727.208728
where:
bonds (distance) C4'-P energy: -137.335
bonds (distance) P-C4' energy: -134.274
flat angles C4'-P-C4' energy: -139.985
flat angles P-C4'-P energy: -108.241
tors. eta vs tors. theta energy: -207.374
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: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2161.804225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.804225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.804225 (E_RNA)
where:
Base-Base interactions energy: -1479.169
where: short stacking energy: -612.501
Base-Backbone interact. energy: 0.022
local terms energy: -682.656951
where:
bonds (distance) C4'-P energy: -121.204
bonds (distance) P-C4' energy: -135.726
flat angles C4'-P-C4' energy: -154.401
flat angles P-C4'-P energy: -92.428
tors. eta vs tors. theta energy: -178.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2010.490120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.490120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.490120 (E_RNA)
where:
Base-Base interactions energy: -1364.197
where: short stacking energy: -607.618
Base-Backbone interact. energy: 3.073
local terms energy: -649.366168
where:
bonds (distance) C4'-P energy: -135.855
bonds (distance) P-C4' energy: -114.400
flat angles C4'-P-C4' energy: -124.187
flat angles P-C4'-P energy: -100.122
tors. eta vs tors. theta energy: -174.801
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: 463
Temperature: 1.100000
Total energy: -1873.773333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.773333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.773333 (E_RNA)
where:
Base-Base interactions energy: -1253.650
where: short stacking energy: -562.283
Base-Backbone interact. energy: -0.986
local terms energy: -619.137139
where:
bonds (distance) C4'-P energy: -133.667
bonds (distance) P-C4' energy: -108.524
flat angles C4'-P-C4' energy: -139.731
flat angles P-C4'-P energy: -86.023
tors. eta vs tors. theta energy: -151.191
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: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1743.896312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.896312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.896312 (E_RNA)
where:
Base-Base interactions energy: -1141.214
where: short stacking energy: -501.233
Base-Backbone interact. energy: -2.353
local terms energy: -600.328712
where:
bonds (distance) C4'-P energy: -121.643
bonds (distance) P-C4' energy: -123.896
flat angles C4'-P-C4' energy: -128.808
flat angles P-C4'-P energy: -80.010
tors. eta vs tors. theta energy: -145.971
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: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1525.252681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.252681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.252681 (E_RNA)
where:
Base-Base interactions energy: -1001.802
where: short stacking energy: -439.874
Base-Backbone interact. energy: -0.267
local terms energy: -523.184310
where:
bonds (distance) C4'-P energy: -100.596
bonds (distance) P-C4' energy: -105.273
flat angles C4'-P-C4' energy: -126.210
flat angles P-C4'-P energy: -92.486
tors. eta vs tors. theta energy: -98.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1260.399905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.399905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.399905 (E_RNA)
where:
Base-Base interactions energy: -781.522
where: short stacking energy: -355.588
Base-Backbone interact. energy: 0.327
local terms energy: -479.204550
where:
bonds (distance) C4'-P energy: -107.672
bonds (distance) P-C4' energy: -107.331
flat angles C4'-P-C4' energy: -113.396
flat angles P-C4'-P energy: -74.587
tors. eta vs tors. theta energy: -76.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -995.844803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.844803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.844803 (E_RNA)
where:
Base-Base interactions energy: -561.305
where: short stacking energy: -284.048
Base-Backbone interact. energy: -0.107
local terms energy: -434.432833
where:
bonds (distance) C4'-P energy: -111.115
bonds (distance) P-C4' energy: -104.864
flat angles C4'-P-C4' energy: -101.938
flat angles P-C4'-P energy: -68.764
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: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -828.142730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.142730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.142730 (E_RNA)
where:
Base-Base interactions energy: -461.634
where: short stacking energy: -242.260
Base-Backbone interact. energy: 1.917
local terms energy: -368.426076
where:
bonds (distance) C4'-P energy: -108.400
bonds (distance) P-C4' energy: -105.331
flat angles C4'-P-C4' energy: -89.463
flat angles P-C4'-P energy: -54.455
tors. eta vs tors. theta energy: -10.777
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: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2324.678451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.678451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.678451 (E_RNA)
where:
Base-Base interactions energy: -1599.999
where: short stacking energy: -702.185
Base-Backbone interact. energy: -2.926
local terms energy: -721.753396
where:
bonds (distance) C4'-P energy: -131.713
bonds (distance) P-C4' energy: -121.816
flat angles C4'-P-C4' energy: -154.853
flat angles P-C4'-P energy: -100.462
tors. eta vs tors. theta energy: -212.908
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: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2255.891623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.891623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.891623 (E_RNA)
where:
Base-Base interactions energy: -1554.928
where: short stacking energy: -677.302
Base-Backbone interact. energy: -3.725
local terms energy: -697.238480
where:
bonds (distance) C4'-P energy: -119.519
bonds (distance) P-C4' energy: -123.156
flat angles C4'-P-C4' energy: -150.401
flat angles P-C4'-P energy: -103.484
tors. eta vs tors. theta energy: -200.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2133.436817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.436817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.436817 (E_RNA)
where:
Base-Base interactions energy: -1475.287
where: short stacking energy: -640.463
Base-Backbone interact. energy: 0.847
local terms energy: -658.997269
where:
bonds (distance) C4'-P energy: -116.424
bonds (distance) P-C4' energy: -118.423
flat angles C4'-P-C4' energy: -148.158
flat angles P-C4'-P energy: -97.542
tors. eta vs tors. theta energy: -178.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2018.787668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.787668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.787668 (E_RNA)
where:
Base-Base interactions energy: -1385.129
where: short stacking energy: -597.148
Base-Backbone interact. energy: 2.510
local terms energy: -636.168283
where:
bonds (distance) C4'-P energy: -115.058
bonds (distance) P-C4' energy: -121.391
flat angles C4'-P-C4' energy: -145.439
flat angles P-C4'-P energy: -96.407
tors. eta vs tors. theta energy: -157.873
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: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1884.407662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.407662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.407662 (E_RNA)
where:
Base-Base interactions energy: -1272.436
where: short stacking energy: -567.396
Base-Backbone interact. energy: -4.175
local terms energy: -607.796634
where:
bonds (distance) C4'-P energy: -123.646
bonds (distance) P-C4' energy: -118.817
flat angles C4'-P-C4' energy: -129.590
flat angles P-C4'-P energy: -88.790
tors. eta vs tors. theta energy: -146.954
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: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1741.443168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.443168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.443168 (E_RNA)
where:
Base-Base interactions energy: -1185.855
where: short stacking energy: -508.192
Base-Backbone interact. energy: -2.002
local terms energy: -553.585941
where:
bonds (distance) C4'-P energy: -99.369
bonds (distance) P-C4' energy: -119.847
flat angles C4'-P-C4' energy: -115.477
flat angles P-C4'-P energy: -84.045
tors. eta vs tors. theta energy: -134.849
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: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1539.805989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.805989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.805989 (E_RNA)
where:
Base-Base interactions energy: -1001.991
where: short stacking energy: -439.790
Base-Backbone interact. energy: -0.831
local terms energy: -536.984500
where:
bonds (distance) C4'-P energy: -103.440
bonds (distance) P-C4' energy: -123.401
flat angles C4'-P-C4' energy: -133.393
flat angles P-C4'-P energy: -64.126
tors. eta vs tors. theta energy: -112.625
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: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1289.001175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.001175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.001175 (E_RNA)
where:
Base-Base interactions energy: -823.127
where: short stacking energy: -387.014
Base-Backbone interact. energy: -0.842
local terms energy: -465.031963
where:
bonds (distance) C4'-P energy: -109.871
bonds (distance) P-C4' energy: -109.775
flat angles C4'-P-C4' energy: -96.063
flat angles P-C4'-P energy: -67.942
tors. eta vs tors. theta energy: -81.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1000.351303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.351303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.351303 (E_RNA)
where:
Base-Base interactions energy: -577.331
where: short stacking energy: -274.703
Base-Backbone interact. energy: 4.238
local terms energy: -427.258356
where:
bonds (distance) C4'-P energy: -112.614
bonds (distance) P-C4' energy: -105.786
flat angles C4'-P-C4' energy: -102.466
flat angles P-C4'-P energy: -62.971
tors. eta vs tors. theta energy: -43.421
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: 464
Temperature: 1.350000
Total energy: -874.791263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.791263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.791263 (E_RNA)
where:
Base-Base interactions energy: -520.693
where: short stacking energy: -262.419
Base-Backbone interact. energy: 8.849
local terms energy: -362.946598
where:
bonds (distance) C4'-P energy: -105.715
bonds (distance) P-C4' energy: -108.727
flat angles C4'-P-C4' energy: -93.828
flat angles P-C4'-P energy: -45.681
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2307.927701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.927701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.927701 (E_RNA)
where:
Base-Base interactions energy: -1580.569
where: short stacking energy: -680.816
Base-Backbone interact. energy: -2.049
local terms energy: -725.309015
where:
bonds (distance) C4'-P energy: -132.692
bonds (distance) P-C4' energy: -136.599
flat angles C4'-P-C4' energy: -147.808
flat angles P-C4'-P energy: -101.323
tors. eta vs tors. theta energy: -206.886
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: 465
Temperature: 0.950000
Total energy: -2279.831999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.831999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.831999 (E_RNA)
where:
Base-Base interactions energy: -1581.204
where: short stacking energy: -685.758
Base-Backbone interact. energy: -3.552
local terms energy: -695.075601
where:
bonds (distance) C4'-P energy: -126.341
bonds (distance) P-C4' energy: -119.979
flat angles C4'-P-C4' energy: -136.940
flat angles P-C4'-P energy: -108.102
tors. eta vs tors. theta energy: -203.714
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: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2144.311744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.311744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.311744 (E_RNA)
where:
Base-Base interactions energy: -1486.683
where: short stacking energy: -645.322
Base-Backbone interact. energy: -2.845
local terms energy: -654.783723
where:
bonds (distance) C4'-P energy: -112.940
bonds (distance) P-C4' energy: -114.276
flat angles C4'-P-C4' energy: -131.745
flat angles P-C4'-P energy: -105.215
tors. eta vs tors. theta energy: -190.607
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: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1999.057937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.057937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.057937 (E_RNA)
where:
Base-Base interactions energy: -1315.762
where: short stacking energy: -585.533
Base-Backbone interact. energy: -2.308
local terms energy: -680.988743
where:
bonds (distance) C4'-P energy: -127.335
bonds (distance) P-C4' energy: -123.888
flat angles C4'-P-C4' energy: -144.834
flat angles P-C4'-P energy: -108.110
tors. eta vs tors. theta energy: -176.822
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: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1881.705245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.705245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.705245 (E_RNA)
where:
Base-Base interactions energy: -1272.719
where: short stacking energy: -557.374
Base-Backbone interact. energy: -0.209
local terms energy: -608.777612
where:
bonds (distance) C4'-P energy: -105.817
bonds (distance) P-C4' energy: -110.085
flat angles C4'-P-C4' energy: -125.459
flat angles P-C4'-P energy: -97.549
tors. eta vs tors. theta energy: -169.867
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: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1791.065175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.065175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.065175 (E_RNA)
where:
Base-Base interactions energy: -1187.910
where: short stacking energy: -507.118
Base-Backbone interact. energy: -1.147
local terms energy: -602.008043
where:
bonds (distance) C4'-P energy: -115.630
bonds (distance) P-C4' energy: -120.593
flat angles C4'-P-C4' energy: -136.171
flat angles P-C4'-P energy: -78.483
tors. eta vs tors. theta energy: -151.130
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: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1577.933328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.933328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.933328 (E_RNA)
where:
Base-Base interactions energy: -1021.804
where: short stacking energy: -448.514
Base-Backbone interact. energy: -1.697
local terms energy: -554.432746
where:
bonds (distance) C4'-P energy: -99.863
bonds (distance) P-C4' energy: -121.825
flat angles C4'-P-C4' energy: -123.523
flat angles P-C4'-P energy: -86.477
tors. eta vs tors. theta energy: -122.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1292.817292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.817292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.817292 (E_RNA)
where:
Base-Base interactions energy: -775.429
where: short stacking energy: -369.221
Base-Backbone interact. energy: -2.050
local terms energy: -515.338430
where:
bonds (distance) C4'-P energy: -115.942
bonds (distance) P-C4' energy: -120.243
flat angles C4'-P-C4' energy: -115.742
flat angles P-C4'-P energy: -85.596
tors. eta vs tors. theta energy: -77.815
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: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1086.128238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.128238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.128238 (E_RNA)
where:
Base-Base interactions energy: -616.579
where: short stacking energy: -310.540
Base-Backbone interact. energy: -2.427
local terms energy: -467.122423
where:
bonds (distance) C4'-P energy: -121.021
bonds (distance) P-C4' energy: -112.600
flat angles C4'-P-C4' energy: -107.641
flat angles P-C4'-P energy: -72.969
tors. eta vs tors. theta energy: -52.891
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: 465
Temperature: 1.350000
Total energy: -831.820105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.820105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.820105 (E_RNA)
where:
Base-Base interactions energy: -476.949
where: short stacking energy: -253.993
Base-Backbone interact. energy: 1.392
local terms energy: -356.263335
where:
bonds (distance) C4'-P energy: -84.226
bonds (distance) P-C4' energy: -82.674
flat angles C4'-P-C4' energy: -95.317
flat angles P-C4'-P energy: -62.755
tors. eta vs tors. theta energy: -31.291
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: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2326.262927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.262927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.262927 (E_RNA)
where:
Base-Base interactions energy: -1594.797
where: short stacking energy: -700.837
Base-Backbone interact. energy: 0.052
local terms energy: -731.518286
where:
bonds (distance) C4'-P energy: -131.945
bonds (distance) P-C4' energy: -139.410
flat angles C4'-P-C4' energy: -149.566
flat angles P-C4'-P energy: -102.607
tors. eta vs tors. theta energy: -207.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2289.412765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.412765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.412765 (E_RNA)
where:
Base-Base interactions energy: -1580.952
where: short stacking energy: -691.139
Base-Backbone interact. energy: -1.648
local terms energy: -706.812968
where:
bonds (distance) C4'-P energy: -125.983
bonds (distance) P-C4' energy: -122.326
flat angles C4'-P-C4' energy: -148.370
flat angles P-C4'-P energy: -97.615
tors. eta vs tors. theta energy: -212.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2181.068284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.068284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.068284 (E_RNA)
where:
Base-Base interactions energy: -1512.934
where: short stacking energy: -638.708
Base-Backbone interact. energy: -2.688
local terms energy: -665.446562
where:
bonds (distance) C4'-P energy: -110.748
bonds (distance) P-C4' energy: -108.556
flat angles C4'-P-C4' energy: -159.302
flat angles P-C4'-P energy: -91.569
tors. eta vs tors. theta energy: -195.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1991.292807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.292807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.292807 (E_RNA)
where:
Base-Base interactions energy: -1367.468
where: short stacking energy: -600.198
Base-Backbone interact. energy: -1.314
local terms energy: -622.510600
where:
bonds (distance) C4'-P energy: -118.616
bonds (distance) P-C4' energy: -104.414
flat angles C4'-P-C4' energy: -142.531
flat angles P-C4'-P energy: -86.573
tors. eta vs tors. theta energy: -170.376
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: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1842.032139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.032139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.032139 (E_RNA)
where:
Base-Base interactions energy: -1239.831
where: short stacking energy: -547.328
Base-Backbone interact. energy: -2.219
local terms energy: -599.982119
where:
bonds (distance) C4'-P energy: -106.524
bonds (distance) P-C4' energy: -126.706
flat angles C4'-P-C4' energy: -134.654
flat angles P-C4'-P energy: -82.535
tors. eta vs tors. theta energy: -149.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1862.828637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.828637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.828637 (E_RNA)
where:
Base-Base interactions energy: -1249.625
where: short stacking energy: -544.160
Base-Backbone interact. energy: -2.664
local terms energy: -610.539679
where:
bonds (distance) C4'-P energy: -113.702
bonds (distance) P-C4' energy: -119.013
flat angles C4'-P-C4' energy: -135.596
flat angles P-C4'-P energy: -79.899
tors. eta vs tors. theta energy: -162.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1573.176365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.176365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.176365 (E_RNA)
where:
Base-Base interactions energy: -1049.610
where: short stacking energy: -458.512
Base-Backbone interact. energy: 0.262
local terms energy: -523.827732
where:
bonds (distance) C4'-P energy: -97.432
bonds (distance) P-C4' energy: -119.903
flat angles C4'-P-C4' energy: -121.096
flat angles P-C4'-P energy: -79.606
tors. eta vs tors. theta energy: -105.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1276.168011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.168011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.168011 (E_RNA)
where:
Base-Base interactions energy: -819.311
where: short stacking energy: -380.387
Base-Backbone interact. energy: -0.632
local terms energy: -456.225477
where:
bonds (distance) C4'-P energy: -103.113
bonds (distance) P-C4' energy: -114.318
flat angles C4'-P-C4' energy: -104.431
flat angles P-C4'-P energy: -54.367
tors. eta vs tors. theta energy: -79.998
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: 466
Temperature: 1.300000
Total energy: -1014.307818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.307818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.307818 (E_RNA)
where:
Base-Base interactions energy: -586.539
where: short stacking energy: -289.282
Base-Backbone interact. energy: -1.635
local terms energy: -426.133770
where:
bonds (distance) C4'-P energy: -111.799
bonds (distance) P-C4' energy: -113.114
flat angles C4'-P-C4' energy: -106.339
flat angles P-C4'-P energy: -58.845
tors. eta vs tors. theta energy: -36.037
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: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -813.890257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.890257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.890257 (E_RNA)
where:
Base-Base interactions energy: -460.827
where: short stacking energy: -234.488
Base-Backbone interact. energy: -1.494
local terms energy: -351.569454
where:
bonds (distance) C4'-P energy: -97.954
bonds (distance) P-C4' energy: -105.716
flat angles C4'-P-C4' energy: -82.902
flat angles P-C4'-P energy: -54.096
tors. eta vs tors. theta energy: -10.900
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: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2295.751767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.751767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.751767 (E_RNA)
where:
Base-Base interactions energy: -1559.804
where: short stacking energy: -689.133
Base-Backbone interact. energy: -0.426
local terms energy: -735.521823
where:
bonds (distance) C4'-P energy: -139.091
bonds (distance) P-C4' energy: -141.264
flat angles C4'-P-C4' energy: -134.552
flat angles P-C4'-P energy: -110.919
tors. eta vs tors. theta energy: -209.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2301.691625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.691625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.691625 (E_RNA)
where:
Base-Base interactions energy: -1574.162
where: short stacking energy: -688.611
Base-Backbone interact. energy: -0.561
local terms energy: -726.968937
where:
bonds (distance) C4'-P energy: -124.160
bonds (distance) P-C4' energy: -127.098
flat angles C4'-P-C4' energy: -149.292
flat angles P-C4'-P energy: -114.266
tors. eta vs tors. theta energy: -212.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2164.851907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.851907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.851907 (E_RNA)
where:
Base-Base interactions energy: -1501.258
where: short stacking energy: -641.578
Base-Backbone interact. energy: -1.177
local terms energy: -662.416981
where:
bonds (distance) C4'-P energy: -110.288
bonds (distance) P-C4' energy: -132.148
flat angles C4'-P-C4' energy: -151.609
flat angles P-C4'-P energy: -75.926
tors. eta vs tors. theta energy: -192.447
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: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2021.813198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.813198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.813198 (E_RNA)
where:
Base-Base interactions energy: -1360.011
where: short stacking energy: -594.319
Base-Backbone interact. energy: -2.040
local terms energy: -659.762854
where:
bonds (distance) C4'-P energy: -111.773
bonds (distance) P-C4' energy: -122.803
flat angles C4'-P-C4' energy: -149.256
flat angles P-C4'-P energy: -93.047
tors. eta vs tors. theta energy: -182.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1834.437342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.437342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.437342 (E_RNA)
where:
Base-Base interactions energy: -1225.126
where: short stacking energy: -516.709
Base-Backbone interact. energy: -1.687
local terms energy: -607.624524
where:
bonds (distance) C4'-P energy: -116.209
bonds (distance) P-C4' energy: -117.335
flat angles C4'-P-C4' energy: -133.650
flat angles P-C4'-P energy: -92.676
tors. eta vs tors. theta energy: -147.754
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: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1892.771783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.771783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.771783 (E_RNA)
where:
Base-Base interactions energy: -1285.491
where: short stacking energy: -554.567
Base-Backbone interact. energy: -2.321
local terms energy: -604.959602
where:
bonds (distance) C4'-P energy: -112.419
bonds (distance) P-C4' energy: -121.301
flat angles C4'-P-C4' energy: -133.051
flat angles P-C4'-P energy: -80.237
tors. eta vs tors. theta energy: -157.950
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: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1534.385854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.385854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.385854 (E_RNA)
where:
Base-Base interactions energy: -1012.842
where: short stacking energy: -419.686
Base-Backbone interact. energy: -3.109
local terms energy: -518.435459
where:
bonds (distance) C4'-P energy: -108.996
bonds (distance) P-C4' energy: -92.077
flat angles C4'-P-C4' energy: -134.754
flat angles P-C4'-P energy: -87.346
tors. eta vs tors. theta energy: -95.263
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: 467
Temperature: 1.250000
Total energy: -1242.625759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.625759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.625759 (E_RNA)
where:
Base-Base interactions energy: -792.042
where: short stacking energy: -370.595
Base-Backbone interact. energy: -0.143
local terms energy: -450.440418
where:
bonds (distance) C4'-P energy: -108.769
bonds (distance) P-C4' energy: -103.823
flat angles C4'-P-C4' energy: -113.761
flat angles P-C4'-P energy: -63.071
tors. eta vs tors. theta energy: -61.017
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: 467
Temperature: 1.300000
Total energy: -1024.904953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.904953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.904953 (E_RNA)
where:
Base-Base interactions energy: -591.242
where: short stacking energy: -282.468
Base-Backbone interact. energy: 3.490
local terms energy: -437.153405
where:
bonds (distance) C4'-P energy: -107.526
bonds (distance) P-C4' energy: -112.906
flat angles C4'-P-C4' energy: -95.600
flat angles P-C4'-P energy: -72.582
tors. eta vs tors. theta energy: -48.539
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: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -746.623411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.623411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.623411 (E_RNA)
where:
Base-Base interactions energy: -391.526
where: short stacking energy: -237.289
Base-Backbone interact. energy: -2.906
local terms energy: -352.190971
where:
bonds (distance) C4'-P energy: -80.238
bonds (distance) P-C4' energy: -107.828
flat angles C4'-P-C4' energy: -99.975
flat angles P-C4'-P energy: -51.575
tors. eta vs tors. theta energy: -12.574
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: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2311.563028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.563028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.563028 (E_RNA)
where:
Base-Base interactions energy: -1563.418
where: short stacking energy: -688.467
Base-Backbone interact. energy: -3.012
local terms energy: -745.133052
where:
bonds (distance) C4'-P energy: -137.205
bonds (distance) P-C4' energy: -142.717
flat angles C4'-P-C4' energy: -154.434
flat angles P-C4'-P energy: -98.291
tors. eta vs tors. theta energy: -212.486
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: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2256.164369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.164369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.164369 (E_RNA)
where:
Base-Base interactions energy: -1563.490
where: short stacking energy: -686.141
Base-Backbone interact. energy: -0.131
local terms energy: -692.543447
where:
bonds (distance) C4'-P energy: -115.042
bonds (distance) P-C4' energy: -116.689
flat angles C4'-P-C4' energy: -145.152
flat angles P-C4'-P energy: -110.020
tors. eta vs tors. theta energy: -205.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2186.428576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.428576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.428576 (E_RNA)
where:
Base-Base interactions energy: -1464.281
where: short stacking energy: -619.636
Base-Backbone interact. energy: 0.482
local terms energy: -722.629820
where:
bonds (distance) C4'-P energy: -139.725
bonds (distance) P-C4' energy: -134.371
flat angles C4'-P-C4' energy: -150.678
flat angles P-C4'-P energy: -98.459
tors. eta vs tors. theta energy: -199.397
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: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1995.680153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.680153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.680153 (E_RNA)
where:
Base-Base interactions energy: -1359.970
where: short stacking energy: -607.361
Base-Backbone interact. energy: -2.211
local terms energy: -633.499133
where:
bonds (distance) C4'-P energy: -110.027
bonds (distance) P-C4' energy: -122.861
flat angles C4'-P-C4' energy: -135.263
flat angles P-C4'-P energy: -87.164
tors. eta vs tors. theta energy: -178.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1885.773186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.773186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.773186 (E_RNA)
where:
Base-Base interactions energy: -1241.778
where: short stacking energy: -556.165
Base-Backbone interact. energy: -1.739
local terms energy: -642.255629
where:
bonds (distance) C4'-P energy: -122.460
bonds (distance) P-C4' energy: -126.590
flat angles C4'-P-C4' energy: -147.759
flat angles P-C4'-P energy: -87.541
tors. eta vs tors. theta energy: -157.906
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: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1797.010112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.010112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.010112 (E_RNA)
where:
Base-Base interactions energy: -1196.722
where: short stacking energy: -530.053
Base-Backbone interact. energy: -0.912
local terms energy: -599.376401
where:
bonds (distance) C4'-P energy: -118.021
bonds (distance) P-C4' energy: -123.223
flat angles C4'-P-C4' energy: -131.458
flat angles P-C4'-P energy: -87.680
tors. eta vs tors. theta energy: -138.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1577.520394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.520394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.520394 (E_RNA)
where:
Base-Base interactions energy: -1043.092
where: short stacking energy: -461.789
Base-Backbone interact. energy: 2.067
local terms energy: -536.495750
where:
bonds (distance) C4'-P energy: -117.864
bonds (distance) P-C4' energy: -91.591
flat angles C4'-P-C4' energy: -123.399
flat angles P-C4'-P energy: -78.231
tors. eta vs tors. theta energy: -125.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1238.962036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.962036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.962036 (E_RNA)
where:
Base-Base interactions energy: -777.639
where: short stacking energy: -383.632
Base-Backbone interact. energy: -1.846
local terms energy: -459.476427
where:
bonds (distance) C4'-P energy: -110.060
bonds (distance) P-C4' energy: -104.807
flat angles C4'-P-C4' energy: -111.461
flat angles P-C4'-P energy: -69.741
tors. eta vs tors. theta energy: -63.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1062.747283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.747283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.747283 (E_RNA)
where:
Base-Base interactions energy: -652.790
where: short stacking energy: -306.304
Base-Backbone interact. energy: -2.000
local terms energy: -407.957012
where:
bonds (distance) C4'-P energy: -98.067
bonds (distance) P-C4' energy: -117.331
flat angles C4'-P-C4' energy: -108.845
flat angles P-C4'-P energy: -45.394
tors. eta vs tors. theta energy: -38.320
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: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -750.860330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.860330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.860330 (E_RNA)
where:
Base-Base interactions energy: -392.810
where: short stacking energy: -232.297
Base-Backbone interact. energy: -3.671
local terms energy: -354.379277
where:
bonds (distance) C4'-P energy: -88.888
bonds (distance) P-C4' energy: -99.573
flat angles C4'-P-C4' energy: -107.191
flat angles P-C4'-P energy: -57.977
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2324.588215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.588215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.588215 (E_RNA)
where:
Base-Base interactions energy: -1581.816
where: short stacking energy: -713.133
Base-Backbone interact. energy: 0.024
local terms energy: -742.796221
where:
bonds (distance) C4'-P energy: -129.716
bonds (distance) P-C4' energy: -130.091
flat angles C4'-P-C4' energy: -164.103
flat angles P-C4'-P energy: -106.774
tors. eta vs tors. theta energy: -212.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2258.084177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.084177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.084177 (E_RNA)
where:
Base-Base interactions energy: -1539.886
where: short stacking energy: -672.761
Base-Backbone interact. energy: -4.497
local terms energy: -713.701295
where:
bonds (distance) C4'-P energy: -118.630
bonds (distance) P-C4' energy: -127.091
flat angles C4'-P-C4' energy: -150.434
flat angles P-C4'-P energy: -108.361
tors. eta vs tors. theta energy: -209.186
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: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2183.021265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.021265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.021265 (E_RNA)
where:
Base-Base interactions energy: -1523.775
where: short stacking energy: -649.605
Base-Backbone interact. energy: -2.655
local terms energy: -656.592080
where:
bonds (distance) C4'-P energy: -112.448
bonds (distance) P-C4' energy: -106.985
flat angles C4'-P-C4' energy: -147.444
flat angles P-C4'-P energy: -100.163
tors. eta vs tors. theta energy: -189.552
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: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1987.780599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.780599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.780599 (E_RNA)
where:
Base-Base interactions energy: -1335.676
where: short stacking energy: -587.344
Base-Backbone interact. energy: -1.938
local terms energy: -650.166337
where:
bonds (distance) C4'-P energy: -131.560
bonds (distance) P-C4' energy: -124.165
flat angles C4'-P-C4' energy: -139.860
flat angles P-C4'-P energy: -94.570
tors. eta vs tors. theta energy: -160.011
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: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1904.188376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.188376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.188376 (E_RNA)
where:
Base-Base interactions energy: -1290.846
where: short stacking energy: -575.462
Base-Backbone interact. energy: -2.999
local terms energy: -610.343168
where:
bonds (distance) C4'-P energy: -112.510
bonds (distance) P-C4' energy: -120.099
flat angles C4'-P-C4' energy: -131.932
flat angles P-C4'-P energy: -93.224
tors. eta vs tors. theta energy: -152.579
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: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1762.836533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.836533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.836533 (E_RNA)
where:
Base-Base interactions energy: -1180.630
where: short stacking energy: -518.776
Base-Backbone interact. energy: -2.107
local terms energy: -580.099903
where:
bonds (distance) C4'-P energy: -116.000
bonds (distance) P-C4' energy: -119.459
flat angles C4'-P-C4' energy: -134.428
flat angles P-C4'-P energy: -72.772
tors. eta vs tors. theta energy: -137.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1493.329461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.329461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.329461 (E_RNA)
where:
Base-Base interactions energy: -1011.484
where: short stacking energy: -436.541
Base-Backbone interact. energy: -1.200
local terms energy: -480.645570
where:
bonds (distance) C4'-P energy: -94.037
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -118.852
flat angles P-C4'-P energy: -67.642
tors. eta vs tors. theta energy: -95.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1221.302583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.302583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.302583 (E_RNA)
where:
Base-Base interactions energy: -772.927
where: short stacking energy: -350.438
Base-Backbone interact. energy: 2.180
local terms energy: -450.555304
where:
bonds (distance) C4'-P energy: -106.626
bonds (distance) P-C4' energy: -86.770
flat angles C4'-P-C4' energy: -104.817
flat angles P-C4'-P energy: -67.524
tors. eta vs tors. theta energy: -84.818
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: 469
Temperature: 1.300000
Total energy: -1060.295980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.295980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.295980 (E_RNA)
where:
Base-Base interactions energy: -618.192
where: short stacking energy: -302.811
Base-Backbone interact. energy: -0.186
local terms energy: -441.918374
where:
bonds (distance) C4'-P energy: -91.134
bonds (distance) P-C4' energy: -123.626
flat angles C4'-P-C4' energy: -107.535
flat angles P-C4'-P energy: -74.107
tors. eta vs tors. theta energy: -45.516
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: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -753.679960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.679960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.679960 (E_RNA)
where:
Base-Base interactions energy: -357.962
where: short stacking energy: -205.365
Base-Backbone interact. energy: 2.977
local terms energy: -398.695004
where:
bonds (distance) C4'-P energy: -97.592
bonds (distance) P-C4' energy: -125.512
flat angles C4'-P-C4' energy: -101.805
flat angles P-C4'-P energy: -68.256
tors. eta vs tors. theta energy: -5.531
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: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2333.369554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.369554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.369554 (E_RNA)
where:
Base-Base interactions energy: -1591.419
where: short stacking energy: -701.515
Base-Backbone interact. energy: -1.395
local terms energy: -740.555879
where:
bonds (distance) C4'-P energy: -144.080
bonds (distance) P-C4' energy: -121.740
flat angles C4'-P-C4' energy: -158.140
flat angles P-C4'-P energy: -98.958
tors. eta vs tors. theta energy: -217.638
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: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2269.982418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.982418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.982418 (E_RNA)
where:
Base-Base interactions energy: -1566.186
where: short stacking energy: -689.060
Base-Backbone interact. energy: -3.584
local terms energy: -700.211931
where:
bonds (distance) C4'-P energy: -130.451
bonds (distance) P-C4' energy: -125.345
flat angles C4'-P-C4' energy: -137.740
flat angles P-C4'-P energy: -96.875
tors. eta vs tors. theta energy: -209.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2171.424168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.424168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.424168 (E_RNA)
where:
Base-Base interactions energy: -1509.632
where: short stacking energy: -640.138
Base-Backbone interact. energy: -3.476
local terms energy: -658.316474
where:
bonds (distance) C4'-P energy: -117.148
bonds (distance) P-C4' energy: -121.420
flat angles C4'-P-C4' energy: -152.972
flat angles P-C4'-P energy: -85.209
tors. eta vs tors. theta energy: -181.567
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: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2009.048286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.048286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.048286 (E_RNA)
where:
Base-Base interactions energy: -1370.125
where: short stacking energy: -598.721
Base-Backbone interact. energy: -2.905
local terms energy: -636.018307
where:
bonds (distance) C4'-P energy: -125.741
bonds (distance) P-C4' energy: -130.422
flat angles C4'-P-C4' energy: -143.273
flat angles P-C4'-P energy: -72.032
tors. eta vs tors. theta energy: -164.550
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: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1914.525327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.525327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.525327 (E_RNA)
where:
Base-Base interactions energy: -1312.383
where: short stacking energy: -578.866
Base-Backbone interact. energy: -0.687
local terms energy: -601.455510
where:
bonds (distance) C4'-P energy: -110.266
bonds (distance) P-C4' energy: -115.608
flat angles C4'-P-C4' energy: -135.646
flat angles P-C4'-P energy: -82.403
tors. eta vs tors. theta energy: -157.533
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: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1824.692396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.692396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.692396 (E_RNA)
where:
Base-Base interactions energy: -1265.697
where: short stacking energy: -556.831
Base-Backbone interact. energy: -2.359
local terms energy: -556.636025
where:
bonds (distance) C4'-P energy: -93.581
bonds (distance) P-C4' energy: -119.614
flat angles C4'-P-C4' energy: -126.722
flat angles P-C4'-P energy: -80.256
tors. eta vs tors. theta energy: -136.463
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: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1461.853877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.853877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.853877 (E_RNA)
where:
Base-Base interactions energy: -945.853
where: short stacking energy: -410.862
Base-Backbone interact. energy: 0.361
local terms energy: -516.362418
where:
bonds (distance) C4'-P energy: -108.663
bonds (distance) P-C4' energy: -116.205
flat angles C4'-P-C4' energy: -128.842
flat angles P-C4'-P energy: -70.488
tors. eta vs tors. theta energy: -92.165
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: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1310.424348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.424348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.424348 (E_RNA)
where:
Base-Base interactions energy: -824.053
where: short stacking energy: -410.688
Base-Backbone interact. energy: -0.970
local terms energy: -485.401521
where:
bonds (distance) C4'-P energy: -114.176
bonds (distance) P-C4' energy: -110.332
flat angles C4'-P-C4' energy: -109.011
flat angles P-C4'-P energy: -69.601
tors. eta vs tors. theta energy: -82.281
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: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1006.228884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.228884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.228884 (E_RNA)
where:
Base-Base interactions energy: -597.002
where: short stacking energy: -299.754
Base-Backbone interact. energy: -0.269
local terms energy: -408.957876
where:
bonds (distance) C4'-P energy: -105.414
bonds (distance) P-C4' energy: -99.077
flat angles C4'-P-C4' energy: -94.688
flat angles P-C4'-P energy: -67.436
tors. eta vs tors. theta energy: -42.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -744.320459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.320459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.320459 (E_RNA)
where:
Base-Base interactions energy: -355.807
where: short stacking energy: -202.675
Base-Backbone interact. energy: 0.307
local terms energy: -388.820409
where:
bonds (distance) C4'-P energy: -119.469
bonds (distance) P-C4' energy: -120.994
flat angles C4'-P-C4' energy: -81.021
flat angles P-C4'-P energy: -73.367
tors. eta vs tors. theta energy: 6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2331.795167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.795167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.795167 (E_RNA)
where:
Base-Base interactions energy: -1597.573
where: short stacking energy: -706.930
Base-Backbone interact. energy: -2.154
local terms energy: -732.068173
where:
bonds (distance) C4'-P energy: -126.037
bonds (distance) P-C4' energy: -138.845
flat angles C4'-P-C4' energy: -153.653
flat angles P-C4'-P energy: -99.745
tors. eta vs tors. theta energy: -213.788
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: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2215.122236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.122236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.122236 (E_RNA)
where:
Base-Base interactions energy: -1524.033
where: short stacking energy: -675.671
Base-Backbone interact. energy: -2.110
local terms energy: -688.979906
where:
bonds (distance) C4'-P energy: -92.835
bonds (distance) P-C4' energy: -130.366
flat angles C4'-P-C4' energy: -156.101
flat angles P-C4'-P energy: -99.238
tors. eta vs tors. theta energy: -210.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2153.612815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.612815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.612815 (E_RNA)
where:
Base-Base interactions energy: -1494.193
where: short stacking energy: -636.933
Base-Backbone interact. energy: -3.038
local terms energy: -656.382204
where:
bonds (distance) C4'-P energy: -99.514
bonds (distance) P-C4' energy: -126.638
flat angles C4'-P-C4' energy: -152.890
flat angles P-C4'-P energy: -99.219
tors. eta vs tors. theta energy: -178.122
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: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2012.828417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.828417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.828417 (E_RNA)
where:
Base-Base interactions energy: -1399.422
where: short stacking energy: -586.291
Base-Backbone interact. energy: -2.402
local terms energy: -611.004962
where:
bonds (distance) C4'-P energy: -113.625
bonds (distance) P-C4' energy: -117.864
flat angles C4'-P-C4' energy: -141.161
flat angles P-C4'-P energy: -87.793
tors. eta vs tors. theta energy: -150.562
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: 471
Temperature: 1.100000
Total energy: -1896.069894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.069894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.069894 (E_RNA)
where:
Base-Base interactions energy: -1288.529
where: short stacking energy: -537.155
Base-Backbone interact. energy: 3.733
local terms energy: -611.273492
where:
bonds (distance) C4'-P energy: -106.102
bonds (distance) P-C4' energy: -122.701
flat angles C4'-P-C4' energy: -131.717
flat angles P-C4'-P energy: -87.648
tors. eta vs tors. theta energy: -163.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1841.828300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.828300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.828300 (E_RNA)
where:
Base-Base interactions energy: -1271.713
where: short stacking energy: -523.784
Base-Backbone interact. energy: -1.063
local terms energy: -569.052517
where:
bonds (distance) C4'-P energy: -112.471
bonds (distance) P-C4' energy: -111.333
flat angles C4'-P-C4' energy: -123.335
flat angles P-C4'-P energy: -71.842
tors. eta vs tors. theta energy: -150.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1415.419813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.419813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.419813 (E_RNA)
where:
Base-Base interactions energy: -941.113
where: short stacking energy: -412.824
Base-Backbone interact. energy: 0.766
local terms energy: -475.073697
where:
bonds (distance) C4'-P energy: -89.487
bonds (distance) P-C4' energy: -117.255
flat angles C4'-P-C4' energy: -119.029
flat angles P-C4'-P energy: -66.319
tors. eta vs tors. theta energy: -82.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1266.126145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.126145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.126145 (E_RNA)
where:
Base-Base interactions energy: -790.127
where: short stacking energy: -355.312
Base-Backbone interact. energy: 0.112
local terms energy: -476.111409
where:
bonds (distance) C4'-P energy: -110.336
bonds (distance) P-C4' energy: -121.253
flat angles C4'-P-C4' energy: -113.509
flat angles P-C4'-P energy: -62.904
tors. eta vs tors. theta energy: -68.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1062.801519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.801519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.801519 (E_RNA)
where:
Base-Base interactions energy: -638.456
where: short stacking energy: -298.627
Base-Backbone interact. energy: -0.207
local terms energy: -424.138837
where:
bonds (distance) C4'-P energy: -87.422
bonds (distance) P-C4' energy: -119.841
flat angles C4'-P-C4' energy: -92.704
flat angles P-C4'-P energy: -77.718
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: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -776.584345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.584345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.584345 (E_RNA)
where:
Base-Base interactions energy: -412.415
where: short stacking energy: -200.154
Base-Backbone interact. energy: -3.556
local terms energy: -360.614098
where:
bonds (distance) C4'-P energy: -108.749
bonds (distance) P-C4' energy: -112.728
flat angles C4'-P-C4' energy: -84.247
flat angles P-C4'-P energy: -53.733
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2325.537831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.537831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.537831 (E_RNA)
where:
Base-Base interactions energy: -1579.934
where: short stacking energy: -692.100
Base-Backbone interact. energy: 3.539
local terms energy: -749.143552
where:
bonds (distance) C4'-P energy: -130.536
bonds (distance) P-C4' energy: -145.617
flat angles C4'-P-C4' energy: -148.750
flat angles P-C4'-P energy: -114.598
tors. eta vs tors. theta energy: -209.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2263.816410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.816410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.816410 (E_RNA)
where:
Base-Base interactions energy: -1526.707
where: short stacking energy: -664.277
Base-Backbone interact. energy: -3.446
local terms energy: -733.664131
where:
bonds (distance) C4'-P energy: -138.547
bonds (distance) P-C4' energy: -141.597
flat angles C4'-P-C4' energy: -148.934
flat angles P-C4'-P energy: -97.415
tors. eta vs tors. theta energy: -207.171
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: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2167.307037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.307037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.307037 (E_RNA)
where:
Base-Base interactions energy: -1470.125
where: short stacking energy: -641.580
Base-Backbone interact. energy: 0.949
local terms energy: -698.130682
where:
bonds (distance) C4'-P energy: -133.431
bonds (distance) P-C4' energy: -135.536
flat angles C4'-P-C4' energy: -155.620
flat angles P-C4'-P energy: -90.271
tors. eta vs tors. theta energy: -183.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2060.887109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.887109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.887109 (E_RNA)
where:
Base-Base interactions energy: -1418.709
where: short stacking energy: -614.741
Base-Backbone interact. energy: -2.422
local terms energy: -639.756143
where:
bonds (distance) C4'-P energy: -114.895
bonds (distance) P-C4' energy: -122.742
flat angles C4'-P-C4' energy: -141.320
flat angles P-C4'-P energy: -87.589
tors. eta vs tors. theta energy: -173.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1942.914406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.914406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.914406 (E_RNA)
where:
Base-Base interactions energy: -1296.930
where: short stacking energy: -591.505
Base-Backbone interact. energy: -2.426
local terms energy: -643.558780
where:
bonds (distance) C4'-P energy: -118.218
bonds (distance) P-C4' energy: -125.685
flat angles C4'-P-C4' energy: -125.493
flat angles P-C4'-P energy: -101.035
tors. eta vs tors. theta energy: -173.127
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: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1770.268491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.268491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.268491 (E_RNA)
where:
Base-Base interactions energy: -1182.157
where: short stacking energy: -521.542
Base-Backbone interact. energy: -1.876
local terms energy: -586.235324
where:
bonds (distance) C4'-P energy: -109.249
bonds (distance) P-C4' energy: -122.917
flat angles C4'-P-C4' energy: -108.140
flat angles P-C4'-P energy: -94.948
tors. eta vs tors. theta energy: -150.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1451.692000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.692000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.692000 (E_RNA)
where:
Base-Base interactions energy: -967.818
where: short stacking energy: -435.698
Base-Backbone interact. energy: 7.006
local terms energy: -490.880020
where:
bonds (distance) C4'-P energy: -109.329
bonds (distance) P-C4' energy: -102.272
flat angles C4'-P-C4' energy: -123.921
flat angles P-C4'-P energy: -62.408
tors. eta vs tors. theta energy: -92.949
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: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1276.496175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.496175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.496175 (E_RNA)
where:
Base-Base interactions energy: -787.244
where: short stacking energy: -359.514
Base-Backbone interact. energy: -2.493
local terms energy: -486.759182
where:
bonds (distance) C4'-P energy: -107.493
bonds (distance) P-C4' energy: -125.758
flat angles C4'-P-C4' energy: -118.836
flat angles P-C4'-P energy: -65.143
tors. eta vs tors. theta energy: -69.529
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: 472
Temperature: 1.300000
Total energy: -1058.807697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.807697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.807697 (E_RNA)
where:
Base-Base interactions energy: -617.405
where: short stacking energy: -312.227
Base-Backbone interact. energy: 10.034
local terms energy: -451.437105
where:
bonds (distance) C4'-P energy: -113.779
bonds (distance) P-C4' energy: -118.283
flat angles C4'-P-C4' energy: -103.010
flat angles P-C4'-P energy: -64.224
tors. eta vs tors. theta energy: -52.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -777.859245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.859245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.859245 (E_RNA)
where:
Base-Base interactions energy: -416.348
where: short stacking energy: -225.910
Base-Backbone interact. energy: 1.128
local terms energy: -362.638658
where:
bonds (distance) C4'-P energy: -115.891
bonds (distance) P-C4' energy: -98.255
flat angles C4'-P-C4' energy: -73.244
flat angles P-C4'-P energy: -60.479
tors. eta vs tors. theta energy: -14.770
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: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2333.981164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.981164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.981164 (E_RNA)
where:
Base-Base interactions energy: -1586.974
where: short stacking energy: -708.637
Base-Backbone interact. energy: -2.367
local terms energy: -744.639635
where:
bonds (distance) C4'-P energy: -142.945
bonds (distance) P-C4' energy: -123.799
flat angles C4'-P-C4' energy: -166.073
flat angles P-C4'-P energy: -107.369
tors. eta vs tors. theta energy: -204.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2251.031677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.031677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.031677 (E_RNA)
where:
Base-Base interactions energy: -1533.349
where: short stacking energy: -695.414
Base-Backbone interact. energy: -3.912
local terms energy: -713.770651
where:
bonds (distance) C4'-P energy: -112.671
bonds (distance) P-C4' energy: -127.796
flat angles C4'-P-C4' energy: -161.862
flat angles P-C4'-P energy: -104.156
tors. eta vs tors. theta energy: -207.285
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: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2191.383585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.383585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.383585 (E_RNA)
where:
Base-Base interactions energy: -1486.844
where: short stacking energy: -639.174
Base-Backbone interact. energy: 1.277
local terms energy: -705.816534
where:
bonds (distance) C4'-P energy: -134.221
bonds (distance) P-C4' energy: -132.338
flat angles C4'-P-C4' energy: -151.035
flat angles P-C4'-P energy: -102.783
tors. eta vs tors. theta energy: -185.440
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: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2016.795370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.795370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.795370 (E_RNA)
where:
Base-Base interactions energy: -1414.388
where: short stacking energy: -584.481
Base-Backbone interact. energy: 0.449
local terms energy: -602.856166
where:
bonds (distance) C4'-P energy: -114.242
bonds (distance) P-C4' energy: -104.899
flat angles C4'-P-C4' energy: -140.128
flat angles P-C4'-P energy: -91.782
tors. eta vs tors. theta energy: -151.805
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: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1857.217280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.217280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.217280 (E_RNA)
where:
Base-Base interactions energy: -1226.153
where: short stacking energy: -542.415
Base-Backbone interact. energy: 1.290
local terms energy: -632.355176
where:
bonds (distance) C4'-P energy: -123.635
bonds (distance) P-C4' energy: -125.053
flat angles C4'-P-C4' energy: -140.727
flat angles P-C4'-P energy: -82.036
tors. eta vs tors. theta energy: -160.903
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: 473
Temperature: 1.150000
Total energy: -1802.105312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.105312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.105312 (E_RNA)
where:
Base-Base interactions energy: -1190.435
where: short stacking energy: -518.634
Base-Backbone interact. energy: -1.567
local terms energy: -610.102917
where:
bonds (distance) C4'-P energy: -118.493
bonds (distance) P-C4' energy: -140.298
flat angles C4'-P-C4' energy: -119.864
flat angles P-C4'-P energy: -90.907
tors. eta vs tors. theta energy: -140.541
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: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1451.516044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.516044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.516044 (E_RNA)
where:
Base-Base interactions energy: -922.232
where: short stacking energy: -414.156
Base-Backbone interact. energy: -2.377
local terms energy: -526.907895
where:
bonds (distance) C4'-P energy: -98.473
bonds (distance) P-C4' energy: -105.840
flat angles C4'-P-C4' energy: -137.318
flat angles P-C4'-P energy: -74.843
tors. eta vs tors. theta energy: -110.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1255.620626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.620626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.620626 (E_RNA)
where:
Base-Base interactions energy: -766.456
where: short stacking energy: -336.500
Base-Backbone interact. energy: 0.066
local terms energy: -489.231111
where:
bonds (distance) C4'-P energy: -123.472
bonds (distance) P-C4' energy: -120.971
flat angles C4'-P-C4' energy: -117.014
flat angles P-C4'-P energy: -74.572
tors. eta vs tors. theta energy: -53.202
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: 473
Temperature: 1.300000
Total energy: -1031.724805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.724805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.724805 (E_RNA)
where:
Base-Base interactions energy: -629.484
where: short stacking energy: -292.692
Base-Backbone interact. energy: -0.379
local terms energy: -401.861683
where:
bonds (distance) C4'-P energy: -98.708
bonds (distance) P-C4' energy: -109.234
flat angles C4'-P-C4' energy: -101.281
flat angles P-C4'-P energy: -62.916
tors. eta vs tors. theta energy: -29.724
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: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -757.808166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.808166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.808166 (E_RNA)
where:
Base-Base interactions energy: -401.910
where: short stacking energy: -229.428
Base-Backbone interact. energy: 5.693
local terms energy: -361.590289
where:
bonds (distance) C4'-P energy: -98.839
bonds (distance) P-C4' energy: -96.122
flat angles C4'-P-C4' energy: -98.974
flat angles P-C4'-P energy: -60.496
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: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2349.739235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.739235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.739235 (E_RNA)
where:
Base-Base interactions energy: -1598.484
where: short stacking energy: -689.255
Base-Backbone interact. energy: -1.060
local terms energy: -750.195417
where:
bonds (distance) C4'-P energy: -138.510
bonds (distance) P-C4' energy: -136.718
flat angles C4'-P-C4' energy: -160.500
flat angles P-C4'-P energy: -104.730
tors. eta vs tors. theta energy: -209.737
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: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2247.903045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.903045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.903045 (E_RNA)
where:
Base-Base interactions energy: -1527.740
where: short stacking energy: -673.915
Base-Backbone interact. energy: -1.342
local terms energy: -718.821401
where:
bonds (distance) C4'-P energy: -132.925
bonds (distance) P-C4' energy: -124.680
flat angles C4'-P-C4' energy: -154.860
flat angles P-C4'-P energy: -94.549
tors. eta vs tors. theta energy: -211.808
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: 474
Temperature: 1.000000
Total energy: -2178.730978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.730978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.730978 (E_RNA)
where:
Base-Base interactions energy: -1494.717
where: short stacking energy: -653.599
Base-Backbone interact. energy: -3.008
local terms energy: -681.006071
where:
bonds (distance) C4'-P energy: -118.812
bonds (distance) P-C4' energy: -130.632
flat angles C4'-P-C4' energy: -142.266
flat angles P-C4'-P energy: -92.731
tors. eta vs tors. theta energy: -196.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2012.582971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.582971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.582971 (E_RNA)
where:
Base-Base interactions energy: -1358.892
where: short stacking energy: -587.284
Base-Backbone interact. energy: -1.524
local terms energy: -652.166442
where:
bonds (distance) C4'-P energy: -122.304
bonds (distance) P-C4' energy: -126.753
flat angles C4'-P-C4' energy: -156.253
flat angles P-C4'-P energy: -81.468
tors. eta vs tors. theta energy: -165.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1882.449213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.449213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.449213 (E_RNA)
where:
Base-Base interactions energy: -1249.310
where: short stacking energy: -552.747
Base-Backbone interact. energy: -1.611
local terms energy: -631.528347
where:
bonds (distance) C4'-P energy: -117.983
bonds (distance) P-C4' energy: -123.756
flat angles C4'-P-C4' energy: -132.129
flat angles P-C4'-P energy: -86.963
tors. eta vs tors. theta energy: -170.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1724.856012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.856012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.856012 (E_RNA)
where:
Base-Base interactions energy: -1171.797
where: short stacking energy: -504.484
Base-Backbone interact. energy: -2.224
local terms energy: -550.835328
where:
bonds (distance) C4'-P energy: -95.628
bonds (distance) P-C4' energy: -117.880
flat angles C4'-P-C4' energy: -132.458
flat angles P-C4'-P energy: -76.673
tors. eta vs tors. theta energy: -128.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1535.366421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.366421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.366421 (E_RNA)
where:
Base-Base interactions energy: -998.987
where: short stacking energy: -424.692
Base-Backbone interact. energy: -1.749
local terms energy: -534.630017
where:
bonds (distance) C4'-P energy: -112.571
bonds (distance) P-C4' energy: -120.402
flat angles C4'-P-C4' energy: -109.724
flat angles P-C4'-P energy: -83.219
tors. eta vs tors. theta energy: -108.714
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: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1257.485049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.485049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.485049 (E_RNA)
where:
Base-Base interactions energy: -803.134
where: short stacking energy: -361.450
Base-Backbone interact. energy: -2.906
local terms energy: -451.444335
where:
bonds (distance) C4'-P energy: -89.986
bonds (distance) P-C4' energy: -102.876
flat angles C4'-P-C4' energy: -106.341
flat angles P-C4'-P energy: -75.503
tors. eta vs tors. theta energy: -76.737
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: 474
Temperature: 1.300000
Total energy: -1012.624280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.624280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.624280 (E_RNA)
where:
Base-Base interactions energy: -600.106
where: short stacking energy: -287.090
Base-Backbone interact. energy: 2.883
local terms energy: -415.400554
where:
bonds (distance) C4'-P energy: -114.408
bonds (distance) P-C4' energy: -115.804
flat angles C4'-P-C4' energy: -97.828
flat angles P-C4'-P energy: -66.590
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -761.582236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.582236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.582236 (E_RNA)
where:
Base-Base interactions energy: -395.530
where: short stacking energy: -203.929
Base-Backbone interact. energy: 6.071
local terms energy: -372.123509
where:
bonds (distance) C4'-P energy: -122.083
bonds (distance) P-C4' energy: -108.194
flat angles C4'-P-C4' energy: -91.134
flat angles P-C4'-P energy: -48.448
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2312.723754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.723754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.723754 (E_RNA)
where:
Base-Base interactions energy: -1594.414
where: short stacking energy: -695.450
Base-Backbone interact. energy: 0.033
local terms energy: -718.343255
where:
bonds (distance) C4'-P energy: -129.169
bonds (distance) P-C4' energy: -122.520
flat angles C4'-P-C4' energy: -152.960
flat angles P-C4'-P energy: -111.292
tors. eta vs tors. theta energy: -202.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2221.069970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.069970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.069970 (E_RNA)
where:
Base-Base interactions energy: -1515.655
where: short stacking energy: -649.892
Base-Backbone interact. energy: -3.411
local terms energy: -702.004019
where:
bonds (distance) C4'-P energy: -135.240
bonds (distance) P-C4' energy: -124.873
flat angles C4'-P-C4' energy: -136.618
flat angles P-C4'-P energy: -98.766
tors. eta vs tors. theta energy: -206.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2199.303819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.303819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.303819 (E_RNA)
where:
Base-Base interactions energy: -1497.858
where: short stacking energy: -664.429
Base-Backbone interact. energy: -1.506
local terms energy: -699.940219
where:
bonds (distance) C4'-P energy: -130.231
bonds (distance) P-C4' energy: -133.397
flat angles C4'-P-C4' energy: -151.441
flat angles P-C4'-P energy: -90.714
tors. eta vs tors. theta energy: -194.157
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: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1992.066989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.066989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.066989 (E_RNA)
where:
Base-Base interactions energy: -1364.177
where: short stacking energy: -578.325
Base-Backbone interact. energy: 2.309
local terms energy: -630.198803
where:
bonds (distance) C4'-P energy: -104.977
bonds (distance) P-C4' energy: -125.697
flat angles C4'-P-C4' energy: -139.921
flat angles P-C4'-P energy: -88.003
tors. eta vs tors. theta energy: -171.600
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: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1875.302946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.302946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.302946 (E_RNA)
where:
Base-Base interactions energy: -1255.693
where: short stacking energy: -575.695
Base-Backbone interact. energy: 1.276
local terms energy: -620.885196
where:
bonds (distance) C4'-P energy: -109.675
bonds (distance) P-C4' energy: -125.423
flat angles C4'-P-C4' energy: -132.908
flat angles P-C4'-P energy: -87.528
tors. eta vs tors. theta energy: -165.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1771.522767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.522767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.522767 (E_RNA)
where:
Base-Base interactions energy: -1183.091
where: short stacking energy: -499.476
Base-Backbone interact. energy: -0.623
local terms energy: -587.808117
where:
bonds (distance) C4'-P energy: -119.875
bonds (distance) P-C4' energy: -118.622
flat angles C4'-P-C4' energy: -125.936
flat angles P-C4'-P energy: -89.584
tors. eta vs tors. theta energy: -133.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1506.495217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.495217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.495217 (E_RNA)
where:
Base-Base interactions energy: -954.059
where: short stacking energy: -410.719
Base-Backbone interact. energy: -0.359
local terms energy: -552.077343
where:
bonds (distance) C4'-P energy: -133.577
bonds (distance) P-C4' energy: -120.409
flat angles C4'-P-C4' energy: -134.757
flat angles P-C4'-P energy: -64.202
tors. eta vs tors. theta energy: -99.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1345.960806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.960806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.960806 (E_RNA)
where:
Base-Base interactions energy: -891.307
where: short stacking energy: -401.864
Base-Backbone interact. energy: 0.918
local terms energy: -455.571361
where:
bonds (distance) C4'-P energy: -96.370
bonds (distance) P-C4' energy: -96.189
flat angles C4'-P-C4' energy: -114.754
flat angles P-C4'-P energy: -69.948
tors. eta vs tors. theta energy: -78.310
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: 475
Temperature: 1.300000
Total energy: -1012.532001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.532001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.532001 (E_RNA)
where:
Base-Base interactions energy: -606.477
where: short stacking energy: -281.793
Base-Backbone interact. energy: -3.404
local terms energy: -402.651339
where:
bonds (distance) C4'-P energy: -100.761
bonds (distance) P-C4' energy: -120.159
flat angles C4'-P-C4' energy: -96.146
flat angles P-C4'-P energy: -49.390
tors. eta vs tors. theta energy: -36.196
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: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -735.147533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.147533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.147533 (E_RNA)
where:
Base-Base interactions energy: -370.147
where: short stacking energy: -200.643
Base-Backbone interact. energy: -0.235
local terms energy: -364.765542
where:
bonds (distance) C4'-P energy: -86.773
bonds (distance) P-C4' energy: -128.852
flat angles C4'-P-C4' energy: -86.965
flat angles P-C4'-P energy: -55.611
tors. eta vs tors. theta energy: -6.564
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: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2317.898761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.898761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.898761 (E_RNA)
where:
Base-Base interactions energy: -1583.265
where: short stacking energy: -705.268
Base-Backbone interact. energy: -3.571
local terms energy: -731.062707
where:
bonds (distance) C4'-P energy: -133.756
bonds (distance) P-C4' energy: -132.451
flat angles C4'-P-C4' energy: -148.263
flat angles P-C4'-P energy: -110.831
tors. eta vs tors. theta energy: -205.761
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: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2223.346772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.346772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.346772 (E_RNA)
where:
Base-Base interactions energy: -1518.572
where: short stacking energy: -657.646
Base-Backbone interact. energy: -2.003
local terms energy: -702.771248
where:
bonds (distance) C4'-P energy: -120.555
bonds (distance) P-C4' energy: -128.745
flat angles C4'-P-C4' energy: -154.414
flat angles P-C4'-P energy: -95.393
tors. eta vs tors. theta energy: -203.664
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: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2176.782778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.782778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.782778 (E_RNA)
where:
Base-Base interactions energy: -1485.211
where: short stacking energy: -631.030
Base-Backbone interact. energy: -0.677
local terms energy: -690.894950
where:
bonds (distance) C4'-P energy: -142.354
bonds (distance) P-C4' energy: -130.293
flat angles C4'-P-C4' energy: -134.855
flat angles P-C4'-P energy: -96.468
tors. eta vs tors. theta energy: -186.925
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: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2004.955634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.955634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.955634 (E_RNA)
where:
Base-Base interactions energy: -1357.828
where: short stacking energy: -594.331
Base-Backbone interact. energy: 4.000
local terms energy: -651.127403
where:
bonds (distance) C4'-P energy: -110.801
bonds (distance) P-C4' energy: -143.441
flat angles C4'-P-C4' energy: -141.228
flat angles P-C4'-P energy: -88.569
tors. eta vs tors. theta energy: -167.088
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: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1882.091005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.091005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.091005 (E_RNA)
where:
Base-Base interactions energy: -1267.163
where: short stacking energy: -554.154
Base-Backbone interact. energy: -2.519
local terms energy: -612.409123
where:
bonds (distance) C4'-P energy: -108.935
bonds (distance) P-C4' energy: -114.147
flat angles C4'-P-C4' energy: -135.964
flat angles P-C4'-P energy: -90.494
tors. eta vs tors. theta energy: -162.868
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: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1776.902004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.902004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.902004 (E_RNA)
where:
Base-Base interactions energy: -1218.630
where: short stacking energy: -514.009
Base-Backbone interact. energy: -1.519
local terms energy: -556.753223
where:
bonds (distance) C4'-P energy: -90.316
bonds (distance) P-C4' energy: -113.767
flat angles C4'-P-C4' energy: -127.670
flat angles P-C4'-P energy: -88.900
tors. eta vs tors. theta energy: -136.100
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: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1442.084259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.084259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.084259 (E_RNA)
where:
Base-Base interactions energy: -918.440
where: short stacking energy: -405.471
Base-Backbone interact. energy: -3.459
local terms energy: -520.185530
where:
bonds (distance) C4'-P energy: -118.820
bonds (distance) P-C4' energy: -113.653
flat angles C4'-P-C4' energy: -125.703
flat angles P-C4'-P energy: -67.762
tors. eta vs tors. theta energy: -94.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1360.277315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.277315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.277315 (E_RNA)
where:
Base-Base interactions energy: -886.569
where: short stacking energy: -411.936
Base-Backbone interact. energy: 0.772
local terms energy: -474.481228
where:
bonds (distance) C4'-P energy: -108.316
bonds (distance) P-C4' energy: -101.871
flat angles C4'-P-C4' energy: -117.512
flat angles P-C4'-P energy: -61.815
tors. eta vs tors. theta energy: -84.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1047.079986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.079986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.079986 (E_RNA)
where:
Base-Base interactions energy: -632.491
where: short stacking energy: -307.800
Base-Backbone interact. energy: 4.767
local terms energy: -419.356456
where:
bonds (distance) C4'-P energy: -100.420
bonds (distance) P-C4' energy: -126.861
flat angles C4'-P-C4' energy: -95.085
flat angles P-C4'-P energy: -69.694
tors. eta vs tors. theta energy: -27.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -764.448114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.448114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.448114 (E_RNA)
where:
Base-Base interactions energy: -386.092
where: short stacking energy: -224.382
Base-Backbone interact. energy: 2.009
local terms energy: -380.365374
where:
bonds (distance) C4'-P energy: -104.826
bonds (distance) P-C4' energy: -111.314
flat angles C4'-P-C4' energy: -119.335
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2357.633845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.633845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.633845 (E_RNA)
where:
Base-Base interactions energy: -1614.280
where: short stacking energy: -701.767
Base-Backbone interact. energy: 0.428
local terms energy: -743.782539
where:
bonds (distance) C4'-P energy: -145.024
bonds (distance) P-C4' energy: -141.842
flat angles C4'-P-C4' energy: -152.667
flat angles P-C4'-P energy: -98.067
tors. eta vs tors. theta energy: -206.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2250.337537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.337537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.337537 (E_RNA)
where:
Base-Base interactions energy: -1507.511
where: short stacking energy: -679.756
Base-Backbone interact. energy: -2.036
local terms energy: -740.790269
where:
bonds (distance) C4'-P energy: -136.460
bonds (distance) P-C4' energy: -142.831
flat angles C4'-P-C4' energy: -149.584
flat angles P-C4'-P energy: -97.750
tors. eta vs tors. theta energy: -214.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2147.856285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.856285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.856285 (E_RNA)
where:
Base-Base interactions energy: -1476.580
where: short stacking energy: -643.294
Base-Backbone interact. energy: -1.849
local terms energy: -669.426766
where:
bonds (distance) C4'-P energy: -114.355
bonds (distance) P-C4' energy: -118.532
flat angles C4'-P-C4' energy: -146.014
flat angles P-C4'-P energy: -92.884
tors. eta vs tors. theta energy: -197.641
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: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1963.244639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.244639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.244639 (E_RNA)
where:
Base-Base interactions energy: -1327.372
where: short stacking energy: -575.628
Base-Backbone interact. energy: -1.551
local terms energy: -634.321131
where:
bonds (distance) C4'-P energy: -122.743
bonds (distance) P-C4' energy: -126.003
flat angles C4'-P-C4' energy: -128.660
flat angles P-C4'-P energy: -93.016
tors. eta vs tors. theta energy: -163.899
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: 477
Temperature: 1.100000
Total energy: -1860.424793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.424793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.424793 (E_RNA)
where:
Base-Base interactions energy: -1261.512
where: short stacking energy: -560.181
Base-Backbone interact. energy: 2.212
local terms energy: -601.124745
where:
bonds (distance) C4'-P energy: -126.914
bonds (distance) P-C4' energy: -110.499
flat angles C4'-P-C4' energy: -137.690
flat angles P-C4'-P energy: -74.855
tors. eta vs tors. theta energy: -151.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1710.820006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.820006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.820006 (E_RNA)
where:
Base-Base interactions energy: -1139.194
where: short stacking energy: -497.869
Base-Backbone interact. energy: -0.650
local terms energy: -570.975821
where:
bonds (distance) C4'-P energy: -108.892
bonds (distance) P-C4' energy: -114.230
flat angles C4'-P-C4' energy: -133.968
flat angles P-C4'-P energy: -77.193
tors. eta vs tors. theta energy: -136.693
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: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1442.189990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.189990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.189990 (E_RNA)
where:
Base-Base interactions energy: -940.314
where: short stacking energy: -418.364
Base-Backbone interact. energy: -4.389
local terms energy: -497.486853
where:
bonds (distance) C4'-P energy: -105.482
bonds (distance) P-C4' energy: -105.678
flat angles C4'-P-C4' energy: -136.792
flat angles P-C4'-P energy: -61.366
tors. eta vs tors. theta energy: -88.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1389.501739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.501739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.501739 (E_RNA)
where:
Base-Base interactions energy: -885.466
where: short stacking energy: -410.234
Base-Backbone interact. energy: -2.122
local terms energy: -501.913767
where:
bonds (distance) C4'-P energy: -115.747
bonds (distance) P-C4' energy: -120.658
flat angles C4'-P-C4' energy: -104.748
flat angles P-C4'-P energy: -65.966
tors. eta vs tors. theta energy: -94.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1012.390741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.390741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.390741 (E_RNA)
where:
Base-Base interactions energy: -621.110
where: short stacking energy: -320.341
Base-Backbone interact. energy: 2.290
local terms energy: -393.570608
where:
bonds (distance) C4'-P energy: -79.015
bonds (distance) P-C4' energy: -91.865
flat angles C4'-P-C4' energy: -95.143
flat angles P-C4'-P energy: -78.756
tors. eta vs tors. theta energy: -48.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -813.398897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.398897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.398897 (E_RNA)
where:
Base-Base interactions energy: -437.307
where: short stacking energy: -236.332
Base-Backbone interact. energy: -1.703
local terms energy: -374.388817
where:
bonds (distance) C4'-P energy: -106.422
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -93.372
flat angles P-C4'-P energy: -59.415
tors. eta vs tors. theta energy: -4.975
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: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2331.432629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.432629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.432629 (E_RNA)
where:
Base-Base interactions energy: -1610.978
where: short stacking energy: -679.416
Base-Backbone interact. energy: 2.597
local terms energy: -723.051584
where:
bonds (distance) C4'-P energy: -124.599
bonds (distance) P-C4' energy: -143.005
flat angles C4'-P-C4' energy: -145.657
flat angles P-C4'-P energy: -102.945
tors. eta vs tors. theta energy: -206.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2275.784129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.784129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.784129 (E_RNA)
where:
Base-Base interactions energy: -1546.112
where: short stacking energy: -698.036
Base-Backbone interact. energy: -1.771
local terms energy: -727.900295
where:
bonds (distance) C4'-P energy: -118.052
bonds (distance) P-C4' energy: -135.731
flat angles C4'-P-C4' energy: -156.122
flat angles P-C4'-P energy: -102.371
tors. eta vs tors. theta energy: -215.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2184.957884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.957884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.957884 (E_RNA)
where:
Base-Base interactions energy: -1507.823
where: short stacking energy: -666.210
Base-Backbone interact. energy: 0.747
local terms energy: -677.882465
where:
bonds (distance) C4'-P energy: -123.677
bonds (distance) P-C4' energy: -119.294
flat angles C4'-P-C4' energy: -144.770
flat angles P-C4'-P energy: -100.384
tors. eta vs tors. theta energy: -189.758
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: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1948.667313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.667313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.667313 (E_RNA)
where:
Base-Base interactions energy: -1329.511
where: short stacking energy: -568.951
Base-Backbone interact. energy: 1.123
local terms energy: -620.278785
where:
bonds (distance) C4'-P energy: -126.750
bonds (distance) P-C4' energy: -114.823
flat angles C4'-P-C4' energy: -141.224
flat angles P-C4'-P energy: -90.325
tors. eta vs tors. theta energy: -147.156
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: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1906.186381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.186381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.186381 (E_RNA)
where:
Base-Base interactions energy: -1304.168
where: short stacking energy: -565.339
Base-Backbone interact. energy: -1.907
local terms energy: -600.111491
where:
bonds (distance) C4'-P energy: -95.192
bonds (distance) P-C4' energy: -131.072
flat angles C4'-P-C4' energy: -133.448
flat angles P-C4'-P energy: -79.316
tors. eta vs tors. theta energy: -161.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1751.444631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.444631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.444631 (E_RNA)
where:
Base-Base interactions energy: -1167.319
where: short stacking energy: -499.902
Base-Backbone interact. energy: -0.482
local terms energy: -583.643663
where:
bonds (distance) C4'-P energy: -111.913
bonds (distance) P-C4' energy: -123.208
flat angles C4'-P-C4' energy: -125.260
flat angles P-C4'-P energy: -84.602
tors. eta vs tors. theta energy: -138.661
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: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1410.015832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.015832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.015832 (E_RNA)
where:
Base-Base interactions energy: -915.911
where: short stacking energy: -432.589
Base-Backbone interact. energy: 1.309
local terms energy: -495.413805
where:
bonds (distance) C4'-P energy: -94.196
bonds (distance) P-C4' energy: -120.333
flat angles C4'-P-C4' energy: -116.721
flat angles P-C4'-P energy: -77.887
tors. eta vs tors. theta energy: -86.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1442.419750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.419750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.419750 (E_RNA)
where:
Base-Base interactions energy: -940.475
where: short stacking energy: -436.407
Base-Backbone interact. energy: -1.717
local terms energy: -500.227261
where:
bonds (distance) C4'-P energy: -95.904
bonds (distance) P-C4' energy: -104.823
flat angles C4'-P-C4' energy: -121.147
flat angles P-C4'-P energy: -83.662
tors. eta vs tors. theta energy: -94.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1016.389446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.389446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.389446 (E_RNA)
where:
Base-Base interactions energy: -587.149
where: short stacking energy: -307.713
Base-Backbone interact. energy: -0.108
local terms energy: -429.131763
where:
bonds (distance) C4'-P energy: -96.891
bonds (distance) P-C4' energy: -116.853
flat angles C4'-P-C4' energy: -114.350
flat angles P-C4'-P energy: -58.011
tors. eta vs tors. theta energy: -43.026
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: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -729.258190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.258190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.258190 (E_RNA)
where:
Base-Base interactions energy: -355.786
where: short stacking energy: -211.919
Base-Backbone interact. energy: 0.978
local terms energy: -374.450420
where:
bonds (distance) C4'-P energy: -108.630
bonds (distance) P-C4' energy: -105.868
flat angles C4'-P-C4' energy: -107.753
flat angles P-C4'-P energy: -54.021
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2332.596709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.596709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.596709 (E_RNA)
where:
Base-Base interactions energy: -1591.860
where: short stacking energy: -688.800
Base-Backbone interact. energy: -3.789
local terms energy: -736.948098
where:
bonds (distance) C4'-P energy: -145.835
bonds (distance) P-C4' energy: -128.151
flat angles C4'-P-C4' energy: -150.614
flat angles P-C4'-P energy: -101.674
tors. eta vs tors. theta energy: -210.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2289.627732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.627732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.627732 (E_RNA)
where:
Base-Base interactions energy: -1565.813
where: short stacking energy: -681.878
Base-Backbone interact. energy: -0.390
local terms energy: -723.424921
where:
bonds (distance) C4'-P energy: -124.363
bonds (distance) P-C4' energy: -136.794
flat angles C4'-P-C4' energy: -151.105
flat angles P-C4'-P energy: -101.948
tors. eta vs tors. theta energy: -209.215
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: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2182.346100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.346100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.346100 (E_RNA)
where:
Base-Base interactions energy: -1521.029
where: short stacking energy: -647.199
Base-Backbone interact. energy: -1.619
local terms energy: -659.697760
where:
bonds (distance) C4'-P energy: -103.623
bonds (distance) P-C4' energy: -123.226
flat angles C4'-P-C4' energy: -155.855
flat angles P-C4'-P energy: -83.702
tors. eta vs tors. theta energy: -193.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1987.009501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.009501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.009501 (E_RNA)
where:
Base-Base interactions energy: -1328.443
where: short stacking energy: -618.807
Base-Backbone interact. energy: 0.117
local terms energy: -658.682658
where:
bonds (distance) C4'-P energy: -133.214
bonds (distance) P-C4' energy: -114.627
flat angles C4'-P-C4' energy: -146.607
flat angles P-C4'-P energy: -89.212
tors. eta vs tors. theta energy: -175.022
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: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1902.347409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.347409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.347409 (E_RNA)
where:
Base-Base interactions energy: -1299.185
where: short stacking energy: -553.575
Base-Backbone interact. energy: -2.812
local terms energy: -600.350354
where:
bonds (distance) C4'-P energy: -97.198
bonds (distance) P-C4' energy: -118.019
flat angles C4'-P-C4' energy: -132.606
flat angles P-C4'-P energy: -95.569
tors. eta vs tors. theta energy: -156.958
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: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1773.736276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.736276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.736276 (E_RNA)
where:
Base-Base interactions energy: -1203.617
where: short stacking energy: -516.147
Base-Backbone interact. energy: -1.641
local terms energy: -568.477729
where:
bonds (distance) C4'-P energy: -95.354
bonds (distance) P-C4' energy: -126.332
flat angles C4'-P-C4' energy: -123.293
flat angles P-C4'-P energy: -74.031
tors. eta vs tors. theta energy: -149.468
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: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1479.027304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.027304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.027304 (E_RNA)
where:
Base-Base interactions energy: -959.963
where: short stacking energy: -455.354
Base-Backbone interact. energy: -1.182
local terms energy: -517.881621
where:
bonds (distance) C4'-P energy: -111.268
bonds (distance) P-C4' energy: -118.508
flat angles C4'-P-C4' energy: -108.786
flat angles P-C4'-P energy: -66.390
tors. eta vs tors. theta energy: -112.929
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: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1472.470257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.470257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.470257 (E_RNA)
where:
Base-Base interactions energy: -1000.599
where: short stacking energy: -440.727
Base-Backbone interact. energy: 1.097
local terms energy: -472.968277
where:
bonds (distance) C4'-P energy: -104.846
bonds (distance) P-C4' energy: -99.391
flat angles C4'-P-C4' energy: -103.004
flat angles P-C4'-P energy: -74.920
tors. eta vs tors. theta energy: -90.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -983.235234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.235234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.235234 (E_RNA)
where:
Base-Base interactions energy: -578.050
where: short stacking energy: -266.681
Base-Backbone interact. energy: -0.441
local terms energy: -404.743504
where:
bonds (distance) C4'-P energy: -111.274
bonds (distance) P-C4' energy: -99.146
flat angles C4'-P-C4' energy: -94.258
flat angles P-C4'-P energy: -71.318
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: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -703.167953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.167953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.167953 (E_RNA)
where:
Base-Base interactions energy: -366.383
where: short stacking energy: -219.006
Base-Backbone interact. energy: -0.551
local terms energy: -336.234754
where:
bonds (distance) C4'-P energy: -104.590
bonds (distance) P-C4' energy: -104.251
flat angles C4'-P-C4' energy: -85.440
flat angles P-C4'-P energy: -49.969
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: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2323.654401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.654401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.654401 (E_RNA)
where:
Base-Base interactions energy: -1598.989
where: short stacking energy: -697.271
Base-Backbone interact. energy: -2.816
local terms energy: -721.849639
where:
bonds (distance) C4'-P energy: -121.024
bonds (distance) P-C4' energy: -140.418
flat angles C4'-P-C4' energy: -155.341
flat angles P-C4'-P energy: -100.955
tors. eta vs tors. theta energy: -204.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2284.139825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.139825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.139825 (E_RNA)
where:
Base-Base interactions energy: -1557.297
where: short stacking energy: -676.398
Base-Backbone interact. energy: 0.883
local terms energy: -727.725219
where:
bonds (distance) C4'-P energy: -123.081
bonds (distance) P-C4' energy: -128.910
flat angles C4'-P-C4' energy: -147.237
flat angles P-C4'-P energy: -114.791
tors. eta vs tors. theta energy: -213.706
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: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2191.532254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.532254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.532254 (E_RNA)
where:
Base-Base interactions energy: -1521.305
where: short stacking energy: -651.418
Base-Backbone interact. energy: -1.042
local terms energy: -669.185470
where:
bonds (distance) C4'-P energy: -117.556
bonds (distance) P-C4' energy: -114.127
flat angles C4'-P-C4' energy: -147.974
flat angles P-C4'-P energy: -98.293
tors. eta vs tors. theta energy: -191.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1938.461408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.461408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.461408 (E_RNA)
where:
Base-Base interactions energy: -1308.985
where: short stacking energy: -583.151
Base-Backbone interact. energy: 0.601
local terms energy: -630.078008
where:
bonds (distance) C4'-P energy: -128.727
bonds (distance) P-C4' energy: -120.952
flat angles C4'-P-C4' energy: -140.716
flat angles P-C4'-P energy: -71.628
tors. eta vs tors. theta energy: -168.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1953.890868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.890868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.890868 (E_RNA)
where:
Base-Base interactions energy: -1330.455
where: short stacking energy: -578.045
Base-Backbone interact. energy: -0.072
local terms energy: -623.363320
where:
bonds (distance) C4'-P energy: -116.834
bonds (distance) P-C4' energy: -118.621
flat angles C4'-P-C4' energy: -136.083
flat angles P-C4'-P energy: -93.521
tors. eta vs tors. theta energy: -158.304
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: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1769.728873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.728873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.728873 (E_RNA)
where:
Base-Base interactions energy: -1189.363
where: short stacking energy: -532.211
Base-Backbone interact. energy: -0.367
local terms energy: -579.998910
where:
bonds (distance) C4'-P energy: -115.865
bonds (distance) P-C4' energy: -117.850
flat angles C4'-P-C4' energy: -118.529
flat angles P-C4'-P energy: -69.885
tors. eta vs tors. theta energy: -157.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1478.480724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.480724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.480724 (E_RNA)
where:
Base-Base interactions energy: -946.355
where: short stacking energy: -449.662
Base-Backbone interact. energy: -0.935
local terms energy: -531.190170
where:
bonds (distance) C4'-P energy: -106.673
bonds (distance) P-C4' energy: -109.150
flat angles C4'-P-C4' energy: -111.490
flat angles P-C4'-P energy: -85.510
tors. eta vs tors. theta energy: -118.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1460.600197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.600197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.600197 (E_RNA)
where:
Base-Base interactions energy: -949.088
where: short stacking energy: -416.243
Base-Backbone interact. energy: 2.919
local terms energy: -514.431458
where:
bonds (distance) C4'-P energy: -118.376
bonds (distance) P-C4' energy: -111.708
flat angles C4'-P-C4' energy: -107.229
flat angles P-C4'-P energy: -80.572
tors. eta vs tors. theta energy: -96.545
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: 480
Temperature: 1.300000
Total energy: -997.032429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.032429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.032429 (E_RNA)
where:
Base-Base interactions energy: -573.599
where: short stacking energy: -275.552
Base-Backbone interact. energy: 4.163
local terms energy: -427.597230
where:
bonds (distance) C4'-P energy: -111.556
bonds (distance) P-C4' energy: -116.868
flat angles C4'-P-C4' energy: -98.013
flat angles P-C4'-P energy: -62.934
tors. eta vs tors. theta energy: -38.227
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: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -712.920448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.920448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.920448 (E_RNA)
where:
Base-Base interactions energy: -357.358
where: short stacking energy: -200.815
Base-Backbone interact. energy: 4.890
local terms energy: -360.452419
where:
bonds (distance) C4'-P energy: -92.986
bonds (distance) P-C4' energy: -105.231
flat angles C4'-P-C4' energy: -98.364
flat angles P-C4'-P energy: -67.985
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: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2349.593178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.593178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.593178 (E_RNA)
where:
Base-Base interactions energy: -1598.883
where: short stacking energy: -699.497
Base-Backbone interact. energy: -4.819
local terms energy: -745.890602
where:
bonds (distance) C4'-P energy: -145.643
bonds (distance) P-C4' energy: -123.928
flat angles C4'-P-C4' energy: -151.582
flat angles P-C4'-P energy: -111.776
tors. eta vs tors. theta energy: -212.961
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: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2281.890903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.890903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.890903 (E_RNA)
where:
Base-Base interactions energy: -1573.723
where: short stacking energy: -704.042
Base-Backbone interact. energy: -2.751
local terms energy: -705.417542
where:
bonds (distance) C4'-P energy: -121.776
bonds (distance) P-C4' energy: -122.710
flat angles C4'-P-C4' energy: -153.091
flat angles P-C4'-P energy: -99.536
tors. eta vs tors. theta energy: -208.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2175.728341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.728341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.728341 (E_RNA)
where:
Base-Base interactions energy: -1496.173
where: short stacking energy: -633.541
Base-Backbone interact. energy: -3.129
local terms energy: -676.425958
where:
bonds (distance) C4'-P energy: -125.351
bonds (distance) P-C4' energy: -123.725
flat angles C4'-P-C4' energy: -142.225
flat angles P-C4'-P energy: -100.110
tors. eta vs tors. theta energy: -185.016
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: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1982.478753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.478753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.478753 (E_RNA)
where:
Base-Base interactions energy: -1311.343
where: short stacking energy: -596.177
Base-Backbone interact. energy: -3.136
local terms energy: -667.999727
where:
bonds (distance) C4'-P energy: -119.344
bonds (distance) P-C4' energy: -137.019
flat angles C4'-P-C4' energy: -130.791
flat angles P-C4'-P energy: -98.746
tors. eta vs tors. theta energy: -182.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1926.455935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.455935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.455935 (E_RNA)
where:
Base-Base interactions energy: -1312.550
where: short stacking energy: -560.407
Base-Backbone interact. energy: -1.467
local terms energy: -612.439030
where:
bonds (distance) C4'-P energy: -104.890
bonds (distance) P-C4' energy: -111.018
flat angles C4'-P-C4' energy: -132.912
flat angles P-C4'-P energy: -99.366
tors. eta vs tors. theta energy: -164.254
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: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1784.673827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.673827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.673827 (E_RNA)
where:
Base-Base interactions energy: -1204.475
where: short stacking energy: -543.323
Base-Backbone interact. energy: -3.441
local terms energy: -576.758328
where:
bonds (distance) C4'-P energy: -104.442
bonds (distance) P-C4' energy: -125.727
flat angles C4'-P-C4' energy: -130.275
flat angles P-C4'-P energy: -65.758
tors. eta vs tors. theta energy: -150.556
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: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1406.279730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.279730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.279730 (E_RNA)
where:
Base-Base interactions energy: -878.002
where: short stacking energy: -395.052
Base-Backbone interact. energy: -3.461
local terms energy: -524.816770
where:
bonds (distance) C4'-P energy: -94.282
bonds (distance) P-C4' energy: -126.431
flat angles C4'-P-C4' energy: -120.638
flat angles P-C4'-P energy: -82.884
tors. eta vs tors. theta energy: -100.581
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: 481
Temperature: 1.250000
Total energy: -1416.928559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.928559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.928559 (E_RNA)
where:
Base-Base interactions energy: -917.416
where: short stacking energy: -403.385
Base-Backbone interact. energy: -3.614
local terms energy: -495.898397
where:
bonds (distance) C4'-P energy: -113.992
bonds (distance) P-C4' energy: -111.099
flat angles C4'-P-C4' energy: -114.276
flat angles P-C4'-P energy: -68.382
tors. eta vs tors. theta energy: -88.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1016.570650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.570650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.570650 (E_RNA)
where:
Base-Base interactions energy: -577.561
where: short stacking energy: -276.972
Base-Backbone interact. energy: -1.121
local terms energy: -437.888694
where:
bonds (distance) C4'-P energy: -105.593
bonds (distance) P-C4' energy: -107.928
flat angles C4'-P-C4' energy: -102.296
flat angles P-C4'-P energy: -68.779
tors. eta vs tors. theta energy: -53.293
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: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -753.781110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.781110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.781110 (E_RNA)
where:
Base-Base interactions energy: -374.957
where: short stacking energy: -208.651
Base-Backbone interact. energy: -1.319
local terms energy: -377.505738
where:
bonds (distance) C4'-P energy: -98.013
bonds (distance) P-C4' energy: -98.081
flat angles C4'-P-C4' energy: -99.095
flat angles P-C4'-P energy: -70.791
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2313.352472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.352472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.352472 (E_RNA)
where:
Base-Base interactions energy: -1601.506
where: short stacking energy: -696.066
Base-Backbone interact. energy: -2.271
local terms energy: -709.575819
where:
bonds (distance) C4'-P energy: -135.047
bonds (distance) P-C4' energy: -134.606
flat angles C4'-P-C4' energy: -134.857
flat angles P-C4'-P energy: -96.683
tors. eta vs tors. theta energy: -208.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2252.044474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.044474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.044474 (E_RNA)
where:
Base-Base interactions energy: -1542.201
where: short stacking energy: -650.220
Base-Backbone interact. energy: 1.044
local terms energy: -710.886951
where:
bonds (distance) C4'-P energy: -129.719
bonds (distance) P-C4' energy: -130.267
flat angles C4'-P-C4' energy: -139.040
flat angles P-C4'-P energy: -105.667
tors. eta vs tors. theta energy: -206.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2138.866417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.866417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.866417 (E_RNA)
where:
Base-Base interactions energy: -1448.280
where: short stacking energy: -639.147
Base-Backbone interact. energy: -2.778
local terms energy: -687.809090
where:
bonds (distance) C4'-P energy: -123.243
bonds (distance) P-C4' energy: -136.038
flat angles C4'-P-C4' energy: -151.033
flat angles P-C4'-P energy: -94.613
tors. eta vs tors. theta energy: -182.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1934.413855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.413855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.413855 (E_RNA)
where:
Base-Base interactions energy: -1304.463
where: short stacking energy: -598.422
Base-Backbone interact. energy: -2.621
local terms energy: -627.329814
where:
bonds (distance) C4'-P energy: -122.676
bonds (distance) P-C4' energy: -120.707
flat angles C4'-P-C4' energy: -121.963
flat angles P-C4'-P energy: -92.194
tors. eta vs tors. theta energy: -169.791
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: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1909.792326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.792326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.792326 (E_RNA)
where:
Base-Base interactions energy: -1287.164
where: short stacking energy: -552.456
Base-Backbone interact. energy: 0.634
local terms energy: -623.262332
where:
bonds (distance) C4'-P energy: -115.830
bonds (distance) P-C4' energy: -116.832
flat angles C4'-P-C4' energy: -143.994
flat angles P-C4'-P energy: -91.743
tors. eta vs tors. theta energy: -154.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1718.628103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.628103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.628103 (E_RNA)
where:
Base-Base interactions energy: -1141.315
where: short stacking energy: -502.935
Base-Backbone interact. energy: -4.171
local terms energy: -573.142390
where:
bonds (distance) C4'-P energy: -108.342
bonds (distance) P-C4' energy: -118.200
flat angles C4'-P-C4' energy: -117.892
flat angles P-C4'-P energy: -85.774
tors. eta vs tors. theta energy: -142.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1442.126715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.126715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.126715 (E_RNA)
where:
Base-Base interactions energy: -928.331
where: short stacking energy: -421.420
Base-Backbone interact. energy: -1.731
local terms energy: -512.064953
where:
bonds (distance) C4'-P energy: -107.830
bonds (distance) P-C4' energy: -115.839
flat angles C4'-P-C4' energy: -114.826
flat angles P-C4'-P energy: -73.901
tors. eta vs tors. theta energy: -99.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1324.618149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.618149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.618149 (E_RNA)
where:
Base-Base interactions energy: -868.440
where: short stacking energy: -390.438
Base-Backbone interact. energy: 2.703
local terms energy: -458.880353
where:
bonds (distance) C4'-P energy: -121.360
bonds (distance) P-C4' energy: -98.650
flat angles C4'-P-C4' energy: -107.201
flat angles P-C4'-P energy: -55.805
tors. eta vs tors. theta energy: -75.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1037.310298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.310298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.310298 (E_RNA)
where:
Base-Base interactions energy: -612.366
where: short stacking energy: -303.570
Base-Backbone interact. energy: 0.661
local terms energy: -425.605532
where:
bonds (distance) C4'-P energy: -101.458
bonds (distance) P-C4' energy: -86.436
flat angles C4'-P-C4' energy: -118.894
flat angles P-C4'-P energy: -74.506
tors. eta vs tors. theta energy: -44.311
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: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -693.989505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.989505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.989505 (E_RNA)
where:
Base-Base interactions energy: -330.270
where: short stacking energy: -207.562
Base-Backbone interact. energy: 0.721
local terms energy: -364.440355
where:
bonds (distance) C4'-P energy: -103.999
bonds (distance) P-C4' energy: -101.437
flat angles C4'-P-C4' energy: -86.256
flat angles P-C4'-P energy: -75.197
tors. eta vs tors. theta energy: 2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2319.422942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.422942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.422942 (E_RNA)
where:
Base-Base interactions energy: -1596.659
where: short stacking energy: -691.579
Base-Backbone interact. energy: -2.123
local terms energy: -720.640586
where:
bonds (distance) C4'-P energy: -132.756
bonds (distance) P-C4' energy: -134.541
flat angles C4'-P-C4' energy: -151.083
flat angles P-C4'-P energy: -95.453
tors. eta vs tors. theta energy: -206.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2300.906475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.906475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.906475 (E_RNA)
where:
Base-Base interactions energy: -1552.982
where: short stacking energy: -700.966
Base-Backbone interact. energy: -4.173
local terms energy: -743.751575
where:
bonds (distance) C4'-P energy: -131.666
bonds (distance) P-C4' energy: -134.829
flat angles C4'-P-C4' energy: -159.967
flat angles P-C4'-P energy: -102.494
tors. eta vs tors. theta energy: -214.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2122.504794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.504794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.504794 (E_RNA)
where:
Base-Base interactions energy: -1491.408
where: short stacking energy: -632.365
Base-Backbone interact. energy: -1.942
local terms energy: -629.154480
where:
bonds (distance) C4'-P energy: -112.355
bonds (distance) P-C4' energy: -106.480
flat angles C4'-P-C4' energy: -146.440
flat angles P-C4'-P energy: -86.562
tors. eta vs tors. theta energy: -177.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1933.439507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.439507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.439507 (E_RNA)
where:
Base-Base interactions energy: -1270.648
where: short stacking energy: -588.617
Base-Backbone interact. energy: -2.377
local terms energy: -660.414637
where:
bonds (distance) C4'-P energy: -129.443
bonds (distance) P-C4' energy: -126.939
flat angles C4'-P-C4' energy: -143.246
flat angles P-C4'-P energy: -83.195
tors. eta vs tors. theta energy: -177.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1906.938975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.938975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.938975 (E_RNA)
where:
Base-Base interactions energy: -1279.055
where: short stacking energy: -560.801
Base-Backbone interact. energy: -2.211
local terms energy: -625.672418
where:
bonds (distance) C4'-P energy: -129.154
bonds (distance) P-C4' energy: -114.099
flat angles C4'-P-C4' energy: -132.179
flat angles P-C4'-P energy: -101.322
tors. eta vs tors. theta energy: -148.919
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: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1702.470332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.470332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.470332 (E_RNA)
where:
Base-Base interactions energy: -1134.721
where: short stacking energy: -502.782
Base-Backbone interact. energy: 1.615
local terms energy: -569.364513
where:
bonds (distance) C4'-P energy: -106.691
bonds (distance) P-C4' energy: -116.646
flat angles C4'-P-C4' energy: -127.233
flat angles P-C4'-P energy: -88.977
tors. eta vs tors. theta energy: -129.819
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: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1414.580773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.580773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.580773 (E_RNA)
where:
Base-Base interactions energy: -932.057
where: short stacking energy: -410.007
Base-Backbone interact. energy: -1.149
local terms energy: -481.374680
where:
bonds (distance) C4'-P energy: -105.253
bonds (distance) P-C4' energy: -98.403
flat angles C4'-P-C4' energy: -118.223
flat angles P-C4'-P energy: -73.401
tors. eta vs tors. theta energy: -86.095
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: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1322.150334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.150334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.150334 (E_RNA)
where:
Base-Base interactions energy: -836.207
where: short stacking energy: -392.732
Base-Backbone interact. energy: -0.754
local terms energy: -485.189359
where:
bonds (distance) C4'-P energy: -97.085
bonds (distance) P-C4' energy: -122.597
flat angles C4'-P-C4' energy: -114.357
flat angles P-C4'-P energy: -74.494
tors. eta vs tors. theta energy: -76.656
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: 483
Temperature: 1.300000
Total energy: -1030.880512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.880512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.880512 (E_RNA)
where:
Base-Base interactions energy: -607.373
where: short stacking energy: -282.241
Base-Backbone interact. energy: -0.261
local terms energy: -423.246886
where:
bonds (distance) C4'-P energy: -104.431
bonds (distance) P-C4' energy: -123.735
flat angles C4'-P-C4' energy: -100.568
flat angles P-C4'-P energy: -71.770
tors. eta vs tors. theta energy: -22.742
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: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -726.776188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.776188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.776188 (E_RNA)
where:
Base-Base interactions energy: -375.309
where: short stacking energy: -195.428
Base-Backbone interact. energy: 0.035
local terms energy: -351.501334
where:
bonds (distance) C4'-P energy: -95.911
bonds (distance) P-C4' energy: -116.524
flat angles C4'-P-C4' energy: -96.146
flat angles P-C4'-P energy: -58.766
tors. eta vs tors. theta energy: 15.846
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: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2327.709892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.709892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.709892 (E_RNA)
where:
Base-Base interactions energy: -1613.811
where: short stacking energy: -691.155
Base-Backbone interact. energy: -2.747
local terms energy: -711.151312
where:
bonds (distance) C4'-P energy: -127.663
bonds (distance) P-C4' energy: -130.945
flat angles C4'-P-C4' energy: -148.240
flat angles P-C4'-P energy: -100.803
tors. eta vs tors. theta energy: -203.501
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: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2285.608576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.608576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.608576 (E_RNA)
where:
Base-Base interactions energy: -1546.240
where: short stacking energy: -687.277
Base-Backbone interact. energy: -2.451
local terms energy: -736.917812
where:
bonds (distance) C4'-P energy: -133.441
bonds (distance) P-C4' energy: -126.832
flat angles C4'-P-C4' energy: -151.409
flat angles P-C4'-P energy: -112.509
tors. eta vs tors. theta energy: -212.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2160.235455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.235455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.235455 (E_RNA)
where:
Base-Base interactions energy: -1487.867
where: short stacking energy: -625.697
Base-Backbone interact. energy: -1.568
local terms energy: -670.799996
where:
bonds (distance) C4'-P energy: -112.466
bonds (distance) P-C4' energy: -135.022
flat angles C4'-P-C4' energy: -145.687
flat angles P-C4'-P energy: -96.108
tors. eta vs tors. theta energy: -181.518
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: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1967.805014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.805014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.805014 (E_RNA)
where:
Base-Base interactions energy: -1316.171
where: short stacking energy: -595.265
Base-Backbone interact. energy: -2.944
local terms energy: -648.690579
where:
bonds (distance) C4'-P energy: -120.981
bonds (distance) P-C4' energy: -127.307
flat angles C4'-P-C4' energy: -147.988
flat angles P-C4'-P energy: -79.211
tors. eta vs tors. theta energy: -173.203
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: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1944.561317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.561317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.561317 (E_RNA)
where:
Base-Base interactions energy: -1311.520
where: short stacking energy: -602.379
Base-Backbone interact. energy: -1.189
local terms energy: -631.852832
where:
bonds (distance) C4'-P energy: -122.360
bonds (distance) P-C4' energy: -127.321
flat angles C4'-P-C4' energy: -141.000
flat angles P-C4'-P energy: -82.025
tors. eta vs tors. theta energy: -159.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1682.504004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.504004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.504004 (E_RNA)
where:
Base-Base interactions energy: -1116.649
where: short stacking energy: -486.982
Base-Backbone interact. energy: -2.789
local terms energy: -563.065907
where:
bonds (distance) C4'-P energy: -121.054
bonds (distance) P-C4' energy: -120.631
flat angles C4'-P-C4' energy: -131.805
flat angles P-C4'-P energy: -63.510
tors. eta vs tors. theta energy: -126.066
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: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1472.967962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.967962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.967962 (E_RNA)
where:
Base-Base interactions energy: -947.403
where: short stacking energy: -438.536
Base-Backbone interact. energy: 1.903
local terms energy: -527.468181
where:
bonds (distance) C4'-P energy: -124.412
bonds (distance) P-C4' energy: -114.596
flat angles C4'-P-C4' energy: -123.886
flat angles P-C4'-P energy: -71.193
tors. eta vs tors. theta energy: -93.382
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: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1341.721228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.721228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.721228 (E_RNA)
where:
Base-Base interactions energy: -893.229
where: short stacking energy: -410.115
Base-Backbone interact. energy: 1.121
local terms energy: -449.613362
where:
bonds (distance) C4'-P energy: -100.461
bonds (distance) P-C4' energy: -101.228
flat angles C4'-P-C4' energy: -106.944
flat angles P-C4'-P energy: -64.255
tors. eta vs tors. theta energy: -76.726
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: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1059.769442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.769442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.769442 (E_RNA)
where:
Base-Base interactions energy: -609.714
where: short stacking energy: -313.749
Base-Backbone interact. energy: 1.333
local terms energy: -451.388506
where:
bonds (distance) C4'-P energy: -122.530
bonds (distance) P-C4' energy: -109.809
flat angles C4'-P-C4' energy: -97.438
flat angles P-C4'-P energy: -63.212
tors. eta vs tors. theta energy: -58.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -761.933969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.933969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.933969 (E_RNA)
where:
Base-Base interactions energy: -389.181
where: short stacking energy: -210.000
Base-Backbone interact. energy: -0.721
local terms energy: -372.031743
where:
bonds (distance) C4'-P energy: -99.425
bonds (distance) P-C4' energy: -128.033
flat angles C4'-P-C4' energy: -83.110
flat angles P-C4'-P energy: -53.223
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2282.595994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.595994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.595994 (E_RNA)
where:
Base-Base interactions energy: -1568.479
where: short stacking energy: -691.663
Base-Backbone interact. energy: -2.771
local terms energy: -711.346122
where:
bonds (distance) C4'-P energy: -119.682
bonds (distance) P-C4' energy: -127.207
flat angles C4'-P-C4' energy: -157.229
flat angles P-C4'-P energy: -106.467
tors. eta vs tors. theta energy: -200.761
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: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2277.849214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.849214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.849214 (E_RNA)
where:
Base-Base interactions energy: -1554.660
where: short stacking energy: -674.587
Base-Backbone interact. energy: -5.788
local terms energy: -717.400956
where:
bonds (distance) C4'-P energy: -139.211
bonds (distance) P-C4' energy: -124.036
flat angles C4'-P-C4' energy: -144.319
flat angles P-C4'-P energy: -95.875
tors. eta vs tors. theta energy: -213.961
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: 485
Temperature: 1.000000
Total energy: -2162.501666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.501666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.501666 (E_RNA)
where:
Base-Base interactions energy: -1500.470
where: short stacking energy: -617.294
Base-Backbone interact. energy: -2.595
local terms energy: -659.436257
where:
bonds (distance) C4'-P energy: -118.500
bonds (distance) P-C4' energy: -125.959
flat angles C4'-P-C4' energy: -129.408
flat angles P-C4'-P energy: -101.883
tors. eta vs tors. theta energy: -183.686
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: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1997.044001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.044001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.044001 (E_RNA)
where:
Base-Base interactions energy: -1365.360
where: short stacking energy: -620.311
Base-Backbone interact. energy: -0.472
local terms energy: -631.212018
where:
bonds (distance) C4'-P energy: -123.919
bonds (distance) P-C4' energy: -120.192
flat angles C4'-P-C4' energy: -129.305
flat angles P-C4'-P energy: -89.381
tors. eta vs tors. theta energy: -168.415
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: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1875.711574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.711574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.711574 (E_RNA)
where:
Base-Base interactions energy: -1251.058
where: short stacking energy: -572.820
Base-Backbone interact. energy: -2.401
local terms energy: -622.252358
where:
bonds (distance) C4'-P energy: -125.277
bonds (distance) P-C4' energy: -115.217
flat angles C4'-P-C4' energy: -136.426
flat angles P-C4'-P energy: -74.121
tors. eta vs tors. theta energy: -171.211
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: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1662.122291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.122291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.122291 (E_RNA)
where:
Base-Base interactions energy: -1113.676
where: short stacking energy: -498.473
Base-Backbone interact. energy: -1.457
local terms energy: -546.988743
where:
bonds (distance) C4'-P energy: -107.109
bonds (distance) P-C4' energy: -118.236
flat angles C4'-P-C4' energy: -113.271
flat angles P-C4'-P energy: -85.661
tors. eta vs tors. theta energy: -122.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1457.989073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.989073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.989073 (E_RNA)
where:
Base-Base interactions energy: -943.790
where: short stacking energy: -408.214
Base-Backbone interact. energy: -0.347
local terms energy: -513.851570
where:
bonds (distance) C4'-P energy: -120.687
bonds (distance) P-C4' energy: -90.495
flat angles C4'-P-C4' energy: -127.502
flat angles P-C4'-P energy: -82.332
tors. eta vs tors. theta energy: -92.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1309.711939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.711939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.711939 (E_RNA)
where:
Base-Base interactions energy: -813.173
where: short stacking energy: -377.218
Base-Backbone interact. energy: -2.037
local terms energy: -494.501248
where:
bonds (distance) C4'-P energy: -117.562
bonds (distance) P-C4' energy: -101.223
flat angles C4'-P-C4' energy: -109.249
flat angles P-C4'-P energy: -82.631
tors. eta vs tors. theta energy: -83.836
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: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1033.521528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.521528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.521528 (E_RNA)
where:
Base-Base interactions energy: -618.107
where: short stacking energy: -297.186
Base-Backbone interact. energy: -1.844
local terms energy: -413.570669
where:
bonds (distance) C4'-P energy: -99.283
bonds (distance) P-C4' energy: -113.034
flat angles C4'-P-C4' energy: -104.943
flat angles P-C4'-P energy: -57.337
tors. eta vs tors. theta energy: -38.974
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: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -775.556792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.556792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.556792 (E_RNA)
where:
Base-Base interactions energy: -417.642
where: short stacking energy: -215.292
Base-Backbone interact. energy: 2.591
local terms energy: -360.505900
where:
bonds (distance) C4'-P energy: -97.900
bonds (distance) P-C4' energy: -122.563
flat angles C4'-P-C4' energy: -91.844
flat angles P-C4'-P energy: -63.761
tors. eta vs tors. theta energy: 15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2332.910155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.910155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.910155 (E_RNA)
where:
Base-Base interactions energy: -1588.587
where: short stacking energy: -700.884
Base-Backbone interact. energy: -1.737
local terms energy: -742.585671
where:
bonds (distance) C4'-P energy: -140.290
bonds (distance) P-C4' energy: -136.891
flat angles C4'-P-C4' energy: -144.434
flat angles P-C4'-P energy: -102.121
tors. eta vs tors. theta energy: -218.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2250.384596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.384596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.384596 (E_RNA)
where:
Base-Base interactions energy: -1551.590
where: short stacking energy: -678.077
Base-Backbone interact. energy: -1.689
local terms energy: -697.106272
where:
bonds (distance) C4'-P energy: -128.823
bonds (distance) P-C4' energy: -128.381
flat angles C4'-P-C4' energy: -145.537
flat angles P-C4'-P energy: -99.931
tors. eta vs tors. theta energy: -194.435
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: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2120.732903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.732903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.732903 (E_RNA)
where:
Base-Base interactions energy: -1440.865
where: short stacking energy: -601.783
Base-Backbone interact. energy: -1.895
local terms energy: -677.972321
where:
bonds (distance) C4'-P energy: -126.245
bonds (distance) P-C4' energy: -136.241
flat angles C4'-P-C4' energy: -147.230
flat angles P-C4'-P energy: -85.590
tors. eta vs tors. theta energy: -182.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1995.450975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.450975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.450975 (E_RNA)
where:
Base-Base interactions energy: -1355.714
where: short stacking energy: -589.923
Base-Backbone interact. energy: -1.851
local terms energy: -637.885985
where:
bonds (distance) C4'-P energy: -113.125
bonds (distance) P-C4' energy: -133.766
flat angles C4'-P-C4' energy: -128.420
flat angles P-C4'-P energy: -87.259
tors. eta vs tors. theta energy: -175.315
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: 486
Temperature: 1.100000
Total energy: -1875.390624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.390624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.390624 (E_RNA)
where:
Base-Base interactions energy: -1236.896
where: short stacking energy: -582.699
Base-Backbone interact. energy: -0.994
local terms energy: -637.500756
where:
bonds (distance) C4'-P energy: -108.842
bonds (distance) P-C4' energy: -125.430
flat angles C4'-P-C4' energy: -148.737
flat angles P-C4'-P energy: -77.688
tors. eta vs tors. theta energy: -176.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1642.300271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.300271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.300271 (E_RNA)
where:
Base-Base interactions energy: -1096.317
where: short stacking energy: -487.199
Base-Backbone interact. energy: -2.541
local terms energy: -543.442189
where:
bonds (distance) C4'-P energy: -110.176
bonds (distance) P-C4' energy: -113.482
flat angles C4'-P-C4' energy: -115.626
flat angles P-C4'-P energy: -76.645
tors. eta vs tors. theta energy: -127.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1502.908920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.908920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.908920 (E_RNA)
where:
Base-Base interactions energy: -978.722
where: short stacking energy: -459.187
Base-Backbone interact. energy: -1.545
local terms energy: -522.641599
where:
bonds (distance) C4'-P energy: -117.551
bonds (distance) P-C4' energy: -119.493
flat angles C4'-P-C4' energy: -113.316
flat angles P-C4'-P energy: -87.678
tors. eta vs tors. theta energy: -84.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1336.382760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.382760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.382760 (E_RNA)
where:
Base-Base interactions energy: -849.902
where: short stacking energy: -389.083
Base-Backbone interact. energy: 4.827
local terms energy: -491.307760
where:
bonds (distance) C4'-P energy: -119.173
bonds (distance) P-C4' energy: -99.770
flat angles C4'-P-C4' energy: -112.198
flat angles P-C4'-P energy: -70.991
tors. eta vs tors. theta energy: -89.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1010.195511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.195511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.195511 (E_RNA)
where:
Base-Base interactions energy: -589.537
where: short stacking energy: -266.652
Base-Backbone interact. energy: -0.399
local terms energy: -420.259632
where:
bonds (distance) C4'-P energy: -100.005
bonds (distance) P-C4' energy: -109.071
flat angles C4'-P-C4' energy: -105.310
flat angles P-C4'-P energy: -73.858
tors. eta vs tors. theta energy: -32.015
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: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -715.482543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.482543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.482543 (E_RNA)
where:
Base-Base interactions energy: -377.367
where: short stacking energy: -207.830
Base-Backbone interact. energy: 0.821
local terms energy: -338.937090
where:
bonds (distance) C4'-P energy: -103.338
bonds (distance) P-C4' energy: -101.959
flat angles C4'-P-C4' energy: -71.955
flat angles P-C4'-P energy: -68.821
tors. eta vs tors. theta energy: 7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2333.001545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.001545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.001545 (E_RNA)
where:
Base-Base interactions energy: -1589.193
where: short stacking energy: -689.489
Base-Backbone interact. energy: -3.333
local terms energy: -740.476304
where:
bonds (distance) C4'-P energy: -134.660
bonds (distance) P-C4' energy: -143.872
flat angles C4'-P-C4' energy: -149.616
flat angles P-C4'-P energy: -94.390
tors. eta vs tors. theta energy: -217.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2278.645760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.645760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.645760 (E_RNA)
where:
Base-Base interactions energy: -1547.048
where: short stacking energy: -683.329
Base-Backbone interact. energy: -2.046
local terms energy: -729.551221
where:
bonds (distance) C4'-P energy: -142.601
bonds (distance) P-C4' energy: -116.770
flat angles C4'-P-C4' energy: -153.415
flat angles P-C4'-P energy: -108.165
tors. eta vs tors. theta energy: -208.600
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: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2107.373413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.373413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.373413 (E_RNA)
where:
Base-Base interactions energy: -1420.167
where: short stacking energy: -595.750
Base-Backbone interact. energy: -0.654
local terms energy: -686.551853
where:
bonds (distance) C4'-P energy: -136.266
bonds (distance) P-C4' energy: -120.428
flat angles C4'-P-C4' energy: -158.183
flat angles P-C4'-P energy: -96.991
tors. eta vs tors. theta energy: -174.684
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: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2020.173270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.173270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.173270 (E_RNA)
where:
Base-Base interactions energy: -1378.755
where: short stacking energy: -572.537
Base-Backbone interact. energy: 2.784
local terms energy: -644.202900
where:
bonds (distance) C4'-P energy: -106.276
bonds (distance) P-C4' energy: -141.476
flat angles C4'-P-C4' energy: -142.665
flat angles P-C4'-P energy: -93.100
tors. eta vs tors. theta energy: -160.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1825.491555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.491555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.491555 (E_RNA)
where:
Base-Base interactions energy: -1215.056
where: short stacking energy: -561.218
Base-Backbone interact. energy: -2.260
local terms energy: -608.175993
where:
bonds (distance) C4'-P energy: -112.970
bonds (distance) P-C4' energy: -122.409
flat angles C4'-P-C4' energy: -120.423
flat angles P-C4'-P energy: -96.186
tors. eta vs tors. theta energy: -156.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1665.637100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.637100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.637100 (E_RNA)
where:
Base-Base interactions energy: -1105.246
where: short stacking energy: -493.065
Base-Backbone interact. energy: 0.279
local terms energy: -560.670483
where:
bonds (distance) C4'-P energy: -113.254
bonds (distance) P-C4' energy: -111.500
flat angles C4'-P-C4' energy: -126.131
flat angles P-C4'-P energy: -78.041
tors. eta vs tors. theta energy: -131.744
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: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1485.909920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.909920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.909920 (E_RNA)
where:
Base-Base interactions energy: -963.249
where: short stacking energy: -437.570
Base-Backbone interact. energy: -1.064
local terms energy: -521.596459
where:
bonds (distance) C4'-P energy: -109.149
bonds (distance) P-C4' energy: -103.032
flat angles C4'-P-C4' energy: -124.365
flat angles P-C4'-P energy: -90.597
tors. eta vs tors. theta energy: -94.453
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: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1293.404906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.404906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.404906 (E_RNA)
where:
Base-Base interactions energy: -826.223
where: short stacking energy: -400.778
Base-Backbone interact. energy: 0.750
local terms energy: -467.931888
where:
bonds (distance) C4'-P energy: -101.601
bonds (distance) P-C4' energy: -113.344
flat angles C4'-P-C4' energy: -96.049
flat angles P-C4'-P energy: -69.028
tors. eta vs tors. theta energy: -87.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1008.279244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.279244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.279244 (E_RNA)
where:
Base-Base interactions energy: -592.071
where: short stacking energy: -272.651
Base-Backbone interact. energy: -2.081
local terms energy: -414.127731
where:
bonds (distance) C4'-P energy: -99.689
bonds (distance) P-C4' energy: -113.908
flat angles C4'-P-C4' energy: -105.120
flat angles P-C4'-P energy: -67.056
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -745.552754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.552754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.552754 (E_RNA)
where:
Base-Base interactions energy: -381.443
where: short stacking energy: -207.572
Base-Backbone interact. energy: 0.763
local terms energy: -364.872437
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -104.438
flat angles C4'-P-C4' energy: -93.742
flat angles P-C4'-P energy: -59.506
tors. eta vs tors. theta energy: -2.406
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: 488
Temperature: 0.900000
Total energy: -2308.938794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.938794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.938794 (E_RNA)
where:
Base-Base interactions energy: -1588.044
where: short stacking energy: -701.090
Base-Backbone interact. energy: 1.660
local terms energy: -722.555639
where:
bonds (distance) C4'-P energy: -132.646
bonds (distance) P-C4' energy: -129.063
flat angles C4'-P-C4' energy: -144.603
flat angles P-C4'-P energy: -104.624
tors. eta vs tors. theta energy: -211.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2278.367085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.367085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.367085 (E_RNA)
where:
Base-Base interactions energy: -1577.374
where: short stacking energy: -680.182
Base-Backbone interact. energy: -0.161
local terms energy: -700.831443
where:
bonds (distance) C4'-P energy: -124.515
bonds (distance) P-C4' energy: -129.603
flat angles C4'-P-C4' energy: -142.470
flat angles P-C4'-P energy: -94.635
tors. eta vs tors. theta energy: -209.608
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: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2118.918015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.918015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.918015 (E_RNA)
where:
Base-Base interactions energy: -1463.773
where: short stacking energy: -621.897
Base-Backbone interact. energy: -2.253
local terms energy: -652.892095
where:
bonds (distance) C4'-P energy: -119.085
bonds (distance) P-C4' energy: -123.817
flat angles C4'-P-C4' energy: -136.345
flat angles P-C4'-P energy: -85.910
tors. eta vs tors. theta energy: -187.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2039.220916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.220916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.220916 (E_RNA)
where:
Base-Base interactions energy: -1400.386
where: short stacking energy: -611.553
Base-Backbone interact. energy: -0.360
local terms energy: -638.474870
where:
bonds (distance) C4'-P energy: -118.058
bonds (distance) P-C4' energy: -115.084
flat angles C4'-P-C4' energy: -130.523
flat angles P-C4'-P energy: -94.718
tors. eta vs tors. theta energy: -180.092
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: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1855.399529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.399529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.399529 (E_RNA)
where:
Base-Base interactions energy: -1223.309
where: short stacking energy: -547.034
Base-Backbone interact. energy: -0.159
local terms energy: -631.931187
where:
bonds (distance) C4'-P energy: -125.127
bonds (distance) P-C4' energy: -121.266
flat angles C4'-P-C4' energy: -138.048
flat angles P-C4'-P energy: -96.455
tors. eta vs tors. theta energy: -151.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1682.005766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.005766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.005766 (E_RNA)
where:
Base-Base interactions energy: -1127.756
where: short stacking energy: -496.779
Base-Backbone interact. energy: -0.296
local terms energy: -553.953727
where:
bonds (distance) C4'-P energy: -97.215
bonds (distance) P-C4' energy: -111.386
flat angles C4'-P-C4' energy: -123.989
flat angles P-C4'-P energy: -79.634
tors. eta vs tors. theta energy: -141.730
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: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1469.665492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.665492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.665492 (E_RNA)
where:
Base-Base interactions energy: -956.224
where: short stacking energy: -440.503
Base-Backbone interact. energy: -0.103
local terms energy: -513.338849
where:
bonds (distance) C4'-P energy: -112.274
bonds (distance) P-C4' energy: -109.315
flat angles C4'-P-C4' energy: -109.978
flat angles P-C4'-P energy: -75.511
tors. eta vs tors. theta energy: -106.261
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: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1362.070136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.070136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.070136 (E_RNA)
where:
Base-Base interactions energy: -881.528
where: short stacking energy: -393.535
Base-Backbone interact. energy: -0.131
local terms energy: -480.411081
where:
bonds (distance) C4'-P energy: -100.465
bonds (distance) P-C4' energy: -112.527
flat angles C4'-P-C4' energy: -103.528
flat angles P-C4'-P energy: -72.835
tors. eta vs tors. theta energy: -91.057
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: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -984.210240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.210240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.210240 (E_RNA)
where:
Base-Base interactions energy: -546.713
where: short stacking energy: -257.617
Base-Backbone interact. energy: -1.595
local terms energy: -435.901905
where:
bonds (distance) C4'-P energy: -126.019
bonds (distance) P-C4' energy: -111.686
flat angles C4'-P-C4' energy: -94.962
flat angles P-C4'-P energy: -86.428
tors. eta vs tors. theta energy: -16.807
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: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -673.314272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.314272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.314272 (E_RNA)
where:
Base-Base interactions energy: -315.923
where: short stacking energy: -168.335
Base-Backbone interact. energy: 4.504
local terms energy: -361.895646
where:
bonds (distance) C4'-P energy: -116.291
bonds (distance) P-C4' energy: -116.304
flat angles C4'-P-C4' energy: -63.510
flat angles P-C4'-P energy: -60.026
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: 1, replica: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2313.835315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.835315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.835315 (E_RNA)
where:
Base-Base interactions energy: -1561.172
where: short stacking energy: -686.025
Base-Backbone interact. energy: -2.806
local terms energy: -749.857436
where:
bonds (distance) C4'-P energy: -129.264
bonds (distance) P-C4' energy: -146.445
flat angles C4'-P-C4' energy: -154.335
flat angles P-C4'-P energy: -109.898
tors. eta vs tors. theta energy: -209.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2290.257337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.257337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.257337 (E_RNA)
where:
Base-Base interactions energy: -1557.771
where: short stacking energy: -684.892
Base-Backbone interact. energy: -3.102
local terms energy: -729.383860
where:
bonds (distance) C4'-P energy: -129.549
bonds (distance) P-C4' energy: -135.263
flat angles C4'-P-C4' energy: -150.259
flat angles P-C4'-P energy: -103.254
tors. eta vs tors. theta energy: -211.059
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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2130.071886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.071886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.071886 (E_RNA)
where:
Base-Base interactions energy: -1440.529
where: short stacking energy: -615.875
Base-Backbone interact. energy: -2.458
local terms energy: -687.084655
where:
bonds (distance) C4'-P energy: -130.288
bonds (distance) P-C4' energy: -136.649
flat angles C4'-P-C4' energy: -149.862
flat angles P-C4'-P energy: -85.046
tors. eta vs tors. theta energy: -185.240
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: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2037.126105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.126105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.126105 (E_RNA)
where:
Base-Base interactions energy: -1392.520
where: short stacking energy: -600.651
Base-Backbone interact. energy: -1.565
local terms energy: -643.041757
where:
bonds (distance) C4'-P energy: -122.058
bonds (distance) P-C4' energy: -116.428
flat angles C4'-P-C4' energy: -134.431
flat angles P-C4'-P energy: -91.166
tors. eta vs tors. theta energy: -178.959
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: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1877.798536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.798536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.798536 (E_RNA)
where:
Base-Base interactions energy: -1256.160
where: short stacking energy: -552.873
Base-Backbone interact. energy: 0.327
local terms energy: -621.965366
where:
bonds (distance) C4'-P energy: -123.499
bonds (distance) P-C4' energy: -114.506
flat angles C4'-P-C4' energy: -146.389
flat angles P-C4'-P energy: -71.090
tors. eta vs tors. theta energy: -166.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1697.489950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.489950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.489950 (E_RNA)
where:
Base-Base interactions energy: -1102.393
where: short stacking energy: -508.678
Base-Backbone interact. energy: 0.380
local terms energy: -595.476449
where:
bonds (distance) C4'-P energy: -119.691
bonds (distance) P-C4' energy: -118.730
flat angles C4'-P-C4' energy: -128.427
flat angles P-C4'-P energy: -75.825
tors. eta vs tors. theta energy: -152.803
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: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1493.032102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.032102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.032102 (E_RNA)
where:
Base-Base interactions energy: -940.283
where: short stacking energy: -391.613
Base-Backbone interact. energy: -4.368
local terms energy: -548.380644
where:
bonds (distance) C4'-P energy: -124.446
bonds (distance) P-C4' energy: -128.585
flat angles C4'-P-C4' energy: -119.363
flat angles P-C4'-P energy: -87.588
tors. eta vs tors. theta energy: -88.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1377.464488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.464488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.464488 (E_RNA)
where:
Base-Base interactions energy: -865.394
where: short stacking energy: -406.142
Base-Backbone interact. energy: -4.254
local terms energy: -507.817264
where:
bonds (distance) C4'-P energy: -107.580
bonds (distance) P-C4' energy: -119.187
flat angles C4'-P-C4' energy: -109.034
flat angles P-C4'-P energy: -76.507
tors. eta vs tors. theta energy: -95.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1060.784237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.784237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.784237 (E_RNA)
where:
Base-Base interactions energy: -685.036
where: short stacking energy: -296.548
Base-Backbone interact. energy: -2.966
local terms energy: -372.782900
where:
bonds (distance) C4'-P energy: -102.468
bonds (distance) P-C4' energy: -85.440
flat angles C4'-P-C4' energy: -101.990
flat angles P-C4'-P energy: -60.526
tors. eta vs tors. theta energy: -22.360
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: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -719.492067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.492067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.492067 (E_RNA)
where:
Base-Base interactions energy: -351.046
where: short stacking energy: -212.363
Base-Backbone interact. energy: -2.505
local terms energy: -365.941273
where:
bonds (distance) C4'-P energy: -102.772
bonds (distance) P-C4' energy: -114.791
flat angles C4'-P-C4' energy: -94.588
flat angles P-C4'-P energy: -57.212
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: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2355.608691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.608691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.608691 (E_RNA)
where:
Base-Base interactions energy: -1607.693
where: short stacking energy: -705.007
Base-Backbone interact. energy: -4.573
local terms energy: -743.342955
where:
bonds (distance) C4'-P energy: -129.865
bonds (distance) P-C4' energy: -138.202
flat angles C4'-P-C4' energy: -151.365
flat angles P-C4'-P energy: -109.387
tors. eta vs tors. theta energy: -214.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2249.576179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.576179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.576179 (E_RNA)
where:
Base-Base interactions energy: -1541.849
where: short stacking energy: -672.860
Base-Backbone interact. energy: -1.869
local terms energy: -705.858899
where:
bonds (distance) C4'-P energy: -117.773
bonds (distance) P-C4' energy: -128.577
flat angles C4'-P-C4' energy: -149.326
flat angles P-C4'-P energy: -99.508
tors. eta vs tors. theta energy: -210.675
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: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2131.528846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.528846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.528846 (E_RNA)
where:
Base-Base interactions energy: -1448.797
where: short stacking energy: -623.344
Base-Backbone interact. energy: -2.401
local terms energy: -680.330835
where:
bonds (distance) C4'-P energy: -121.259
bonds (distance) P-C4' energy: -134.629
flat angles C4'-P-C4' energy: -133.888
flat angles P-C4'-P energy: -100.093
tors. eta vs tors. theta energy: -190.462
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: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2041.344458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.344458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.344458 (E_RNA)
where:
Base-Base interactions energy: -1400.140
where: short stacking energy: -629.163
Base-Backbone interact. energy: -0.741
local terms energy: -640.463325
where:
bonds (distance) C4'-P energy: -124.504
bonds (distance) P-C4' energy: -131.862
flat angles C4'-P-C4' energy: -134.042
flat angles P-C4'-P energy: -82.953
tors. eta vs tors. theta energy: -167.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1949.181496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.181496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.181496 (E_RNA)
where:
Base-Base interactions energy: -1308.910
where: short stacking energy: -570.987
Base-Backbone interact. energy: -0.170
local terms energy: -640.102112
where:
bonds (distance) C4'-P energy: -124.713
bonds (distance) P-C4' energy: -115.089
flat angles C4'-P-C4' energy: -139.359
flat angles P-C4'-P energy: -85.499
tors. eta vs tors. theta energy: -175.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1647.315661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.315661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.315661 (E_RNA)
where:
Base-Base interactions energy: -1091.022
where: short stacking energy: -493.565
Base-Backbone interact. energy: -3.668
local terms energy: -552.625954
where:
bonds (distance) C4'-P energy: -104.057
bonds (distance) P-C4' energy: -117.949
flat angles C4'-P-C4' energy: -130.044
flat angles P-C4'-P energy: -76.464
tors. eta vs tors. theta energy: -124.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1437.110844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.110844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.110844 (E_RNA)
where:
Base-Base interactions energy: -938.834
where: short stacking energy: -427.649
Base-Backbone interact. energy: -0.380
local terms energy: -497.896986
where:
bonds (distance) C4'-P energy: -95.041
bonds (distance) P-C4' energy: -121.319
flat angles C4'-P-C4' energy: -114.499
flat angles P-C4'-P energy: -66.742
tors. eta vs tors. theta energy: -100.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1447.761037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.761037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.761037 (E_RNA)
where:
Base-Base interactions energy: -919.413
where: short stacking energy: -417.793
Base-Backbone interact. energy: 2.687
local terms energy: -531.034888
where:
bonds (distance) C4'-P energy: -112.779
bonds (distance) P-C4' energy: -90.185
flat angles C4'-P-C4' energy: -133.843
flat angles P-C4'-P energy: -87.188
tors. eta vs tors. theta energy: -107.040
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: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1028.004052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.004052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.004052 (E_RNA)
where:
Base-Base interactions energy: -596.299
where: short stacking energy: -299.759
Base-Backbone interact. energy: -1.799
local terms energy: -429.906216
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -134.648
flat angles C4'-P-C4' energy: -104.897
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -46.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -800.520869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.520869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.520869 (E_RNA)
where:
Base-Base interactions energy: -412.468
where: short stacking energy: -207.428
Base-Backbone interact. energy: -1.057
local terms energy: -386.996554
where:
bonds (distance) C4'-P energy: -101.889
bonds (distance) P-C4' energy: -110.532
flat angles C4'-P-C4' energy: -98.157
flat angles P-C4'-P energy: -64.328
tors. eta vs tors. theta energy: -12.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2326.753467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.753467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.753467 (E_RNA)
where:
Base-Base interactions energy: -1573.540
where: short stacking energy: -673.955
Base-Backbone interact. energy: -1.069
local terms energy: -752.143972
where:
bonds (distance) C4'-P energy: -132.910
bonds (distance) P-C4' energy: -147.545
flat angles C4'-P-C4' energy: -158.928
flat angles P-C4'-P energy: -107.660
tors. eta vs tors. theta energy: -205.101
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: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2250.208704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.208704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.208704 (E_RNA)
where:
Base-Base interactions energy: -1560.519
where: short stacking energy: -671.345
Base-Backbone interact. energy: -0.700
local terms energy: -688.989446
where:
bonds (distance) C4'-P energy: -110.216
bonds (distance) P-C4' energy: -136.763
flat angles C4'-P-C4' energy: -140.094
flat angles P-C4'-P energy: -96.090
tors. eta vs tors. theta energy: -205.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2148.905385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.905385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.905385 (E_RNA)
where:
Base-Base interactions energy: -1502.967
where: short stacking energy: -645.925
Base-Backbone interact. energy: -1.474
local terms energy: -644.463940
where:
bonds (distance) C4'-P energy: -111.377
bonds (distance) P-C4' energy: -126.552
flat angles C4'-P-C4' energy: -138.912
flat angles P-C4'-P energy: -82.783
tors. eta vs tors. theta energy: -184.840
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: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2007.909464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.909464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.909464 (E_RNA)
where:
Base-Base interactions energy: -1350.042
where: short stacking energy: -593.405
Base-Backbone interact. energy: -3.552
local terms energy: -654.315773
where:
bonds (distance) C4'-P energy: -123.348
bonds (distance) P-C4' energy: -120.177
flat angles C4'-P-C4' energy: -144.561
flat angles P-C4'-P energy: -96.097
tors. eta vs tors. theta energy: -170.132
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: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1930.894051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.894051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.894051 (E_RNA)
where:
Base-Base interactions energy: -1299.807
where: short stacking energy: -563.829
Base-Backbone interact. energy: -0.607
local terms energy: -630.479608
where:
bonds (distance) C4'-P energy: -118.708
bonds (distance) P-C4' energy: -112.422
flat angles C4'-P-C4' energy: -148.939
flat angles P-C4'-P energy: -78.233
tors. eta vs tors. theta energy: -172.178
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: 491
Temperature: 1.150000
Total energy: -1641.567656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.567656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.567656 (E_RNA)
where:
Base-Base interactions energy: -1068.270
where: short stacking energy: -458.985
Base-Backbone interact. energy: -2.295
local terms energy: -571.002891
where:
bonds (distance) C4'-P energy: -123.416
bonds (distance) P-C4' energy: -113.218
flat angles C4'-P-C4' energy: -130.882
flat angles P-C4'-P energy: -73.905
tors. eta vs tors. theta energy: -129.582
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: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1428.888016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.888016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.888016 (E_RNA)
where:
Base-Base interactions energy: -919.052
where: short stacking energy: -402.323
Base-Backbone interact. energy: -3.384
local terms energy: -506.452486
where:
bonds (distance) C4'-P energy: -126.102
bonds (distance) P-C4' energy: -109.728
flat angles C4'-P-C4' energy: -114.818
flat angles P-C4'-P energy: -78.101
tors. eta vs tors. theta energy: -77.704
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: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1358.307684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.307684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.307684 (E_RNA)
where:
Base-Base interactions energy: -870.786
where: short stacking energy: -372.594
Base-Backbone interact. energy: -2.433
local terms energy: -485.088888
where:
bonds (distance) C4'-P energy: -113.683
bonds (distance) P-C4' energy: -136.332
flat angles C4'-P-C4' energy: -95.578
flat angles P-C4'-P energy: -65.472
tors. eta vs tors. theta energy: -74.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1054.011889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.011889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.011889 (E_RNA)
where:
Base-Base interactions energy: -642.459
where: short stacking energy: -313.245
Base-Backbone interact. energy: 0.524
local terms energy: -412.076764
where:
bonds (distance) C4'-P energy: -105.854
bonds (distance) P-C4' energy: -93.918
flat angles C4'-P-C4' energy: -108.134
flat angles P-C4'-P energy: -68.635
tors. eta vs tors. theta energy: -35.536
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: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -823.326404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.326404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.326404 (E_RNA)
where:
Base-Base interactions energy: -436.084
where: short stacking energy: -216.667
Base-Backbone interact. energy: -3.301
local terms energy: -383.941873
where:
bonds (distance) C4'-P energy: -126.870
bonds (distance) P-C4' energy: -114.062
flat angles C4'-P-C4' energy: -83.864
flat angles P-C4'-P energy: -55.784
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: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2306.232763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.232763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.232763 (E_RNA)
where:
Base-Base interactions energy: -1604.258
where: short stacking energy: -694.561
Base-Backbone interact. energy: -2.453
local terms energy: -699.521996
where:
bonds (distance) C4'-P energy: -130.754
bonds (distance) P-C4' energy: -120.335
flat angles C4'-P-C4' energy: -153.318
flat angles P-C4'-P energy: -93.570
tors. eta vs tors. theta energy: -201.545
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: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2256.777136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.777136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.777136 (E_RNA)
where:
Base-Base interactions energy: -1559.150
where: short stacking energy: -665.176
Base-Backbone interact. energy: -2.508
local terms energy: -695.119288
where:
bonds (distance) C4'-P energy: -113.053
bonds (distance) P-C4' energy: -130.914
flat angles C4'-P-C4' energy: -152.379
flat angles P-C4'-P energy: -84.772
tors. eta vs tors. theta energy: -214.001
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: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2178.073423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.073423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.073423 (E_RNA)
where:
Base-Base interactions energy: -1541.630
where: short stacking energy: -642.576
Base-Backbone interact. energy: 1.577
local terms energy: -638.020620
where:
bonds (distance) C4'-P energy: -112.110
bonds (distance) P-C4' energy: -119.773
flat angles C4'-P-C4' energy: -139.354
flat angles P-C4'-P energy: -85.482
tors. eta vs tors. theta energy: -181.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2016.746754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.746754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.746754 (E_RNA)
where:
Base-Base interactions energy: -1387.741
where: short stacking energy: -610.656
Base-Backbone interact. energy: -0.964
local terms energy: -628.041171
where:
bonds (distance) C4'-P energy: -114.988
bonds (distance) P-C4' energy: -109.038
flat angles C4'-P-C4' energy: -137.497
flat angles P-C4'-P energy: -99.835
tors. eta vs tors. theta energy: -166.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1940.667278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.667278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.667278 (E_RNA)
where:
Base-Base interactions energy: -1303.323
where: short stacking energy: -555.544
Base-Backbone interact. energy: -3.056
local terms energy: -634.288473
where:
bonds (distance) C4'-P energy: -124.109
bonds (distance) P-C4' energy: -131.987
flat angles C4'-P-C4' energy: -136.636
flat angles P-C4'-P energy: -84.567
tors. eta vs tors. theta energy: -156.989
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: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1685.824171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.824171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.824171 (E_RNA)
where:
Base-Base interactions energy: -1134.790
where: short stacking energy: -499.584
Base-Backbone interact. energy: -1.583
local terms energy: -549.451704
where:
bonds (distance) C4'-P energy: -105.141
bonds (distance) P-C4' energy: -109.723
flat angles C4'-P-C4' energy: -118.288
flat angles P-C4'-P energy: -84.251
tors. eta vs tors. theta energy: -132.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1440.130941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.130941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.130941 (E_RNA)
where:
Base-Base interactions energy: -916.471
where: short stacking energy: -414.726
Base-Backbone interact. energy: 0.429
local terms energy: -524.089126
where:
bonds (distance) C4'-P energy: -117.650
bonds (distance) P-C4' energy: -124.724
flat angles C4'-P-C4' energy: -120.372
flat angles P-C4'-P energy: -72.644
tors. eta vs tors. theta energy: -88.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1333.819259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.819259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.819259 (E_RNA)
where:
Base-Base interactions energy: -830.647
where: short stacking energy: -386.980
Base-Backbone interact. energy: -2.956
local terms energy: -500.216460
where:
bonds (distance) C4'-P energy: -95.330
bonds (distance) P-C4' energy: -126.577
flat angles C4'-P-C4' energy: -126.491
flat angles P-C4'-P energy: -57.017
tors. eta vs tors. theta energy: -94.802
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: 492
Temperature: 1.300000
Total energy: -1092.109756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.109756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.109756 (E_RNA)
where:
Base-Base interactions energy: -657.891
where: short stacking energy: -305.089
Base-Backbone interact. energy: 1.215
local terms energy: -435.433886
where:
bonds (distance) C4'-P energy: -100.432
bonds (distance) P-C4' energy: -117.631
flat angles C4'-P-C4' energy: -115.293
flat angles P-C4'-P energy: -70.449
tors. eta vs tors. theta energy: -31.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -812.840313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.840313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.840313 (E_RNA)
where:
Base-Base interactions energy: -419.496
where: short stacking energy: -214.306
Base-Backbone interact. energy: 0.645
local terms energy: -393.989273
where:
bonds (distance) C4'-P energy: -113.371
bonds (distance) P-C4' energy: -131.222
flat angles C4'-P-C4' energy: -103.273
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -0.331
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: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2340.674847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.674847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.674847 (E_RNA)
where:
Base-Base interactions energy: -1605.530
where: short stacking energy: -680.238
Base-Backbone interact. energy: 0.649
local terms energy: -735.793334
where:
bonds (distance) C4'-P energy: -137.928
bonds (distance) P-C4' energy: -132.912
flat angles C4'-P-C4' energy: -149.751
flat angles P-C4'-P energy: -106.698
tors. eta vs tors. theta energy: -208.504
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: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2273.132340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.132340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.132340 (E_RNA)
where:
Base-Base interactions energy: -1549.715
where: short stacking energy: -663.169
Base-Backbone interact. energy: 0.728
local terms energy: -724.145422
where:
bonds (distance) C4'-P energy: -137.645
bonds (distance) P-C4' energy: -131.727
flat angles C4'-P-C4' energy: -160.044
flat angles P-C4'-P energy: -91.971
tors. eta vs tors. theta energy: -202.759
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: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2169.324401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.324401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.324401 (E_RNA)
where:
Base-Base interactions energy: -1494.085
where: short stacking energy: -620.926
Base-Backbone interact. energy: 1.072
local terms energy: -676.310750
where:
bonds (distance) C4'-P energy: -135.245
bonds (distance) P-C4' energy: -116.949
flat angles C4'-P-C4' energy: -147.441
flat angles P-C4'-P energy: -98.265
tors. eta vs tors. theta energy: -178.411
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: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2046.468821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.468821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.468821 (E_RNA)
where:
Base-Base interactions energy: -1391.061
where: short stacking energy: -582.186
Base-Backbone interact. energy: -1.818
local terms energy: -653.589981
where:
bonds (distance) C4'-P energy: -125.155
bonds (distance) P-C4' energy: -131.601
flat angles C4'-P-C4' energy: -136.196
flat angles P-C4'-P energy: -87.045
tors. eta vs tors. theta energy: -173.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1948.639827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.639827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.639827 (E_RNA)
where:
Base-Base interactions energy: -1302.921
where: short stacking energy: -584.765
Base-Backbone interact. energy: -2.186
local terms energy: -643.532663
where:
bonds (distance) C4'-P energy: -130.191
bonds (distance) P-C4' energy: -123.065
flat angles C4'-P-C4' energy: -144.976
flat angles P-C4'-P energy: -87.437
tors. eta vs tors. theta energy: -157.863
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: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1698.010611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.010611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.010611 (E_RNA)
where:
Base-Base interactions energy: -1126.877
where: short stacking energy: -477.217
Base-Backbone interact. energy: 0.985
local terms energy: -572.118341
where:
bonds (distance) C4'-P energy: -118.490
bonds (distance) P-C4' energy: -121.269
flat angles C4'-P-C4' energy: -122.763
flat angles P-C4'-P energy: -80.340
tors. eta vs tors. theta energy: -129.256
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: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1483.709710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.709710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.709710 (E_RNA)
where:
Base-Base interactions energy: -959.244
where: short stacking energy: -438.356
Base-Backbone interact. energy: -1.129
local terms energy: -523.336312
where:
bonds (distance) C4'-P energy: -116.057
bonds (distance) P-C4' energy: -110.667
flat angles C4'-P-C4' energy: -120.934
flat angles P-C4'-P energy: -78.640
tors. eta vs tors. theta energy: -97.039
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: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1385.705227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.705227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.705227 (E_RNA)
where:
Base-Base interactions energy: -887.606
where: short stacking energy: -402.567
Base-Backbone interact. energy: -0.075
local terms energy: -498.024615
where:
bonds (distance) C4'-P energy: -124.940
bonds (distance) P-C4' energy: -109.611
flat angles C4'-P-C4' energy: -109.886
flat angles P-C4'-P energy: -65.308
tors. eta vs tors. theta energy: -88.278
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: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1061.438683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.438683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.438683 (E_RNA)
where:
Base-Base interactions energy: -624.999
where: short stacking energy: -288.869
Base-Backbone interact. energy: 5.505
local terms energy: -441.944618
where:
bonds (distance) C4'-P energy: -118.379
bonds (distance) P-C4' energy: -121.561
flat angles C4'-P-C4' energy: -102.398
flat angles P-C4'-P energy: -74.162
tors. eta vs tors. theta energy: -25.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -783.748791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.748791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.748791 (E_RNA)
where:
Base-Base interactions energy: -420.759
where: short stacking energy: -216.167
Base-Backbone interact. energy: 0.773
local terms energy: -363.763146
where:
bonds (distance) C4'-P energy: -106.142
bonds (distance) P-C4' energy: -110.086
flat angles C4'-P-C4' energy: -91.595
flat angles P-C4'-P energy: -55.919
tors. eta vs tors. theta energy: -0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2330.124847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.124847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.124847 (E_RNA)
where:
Base-Base interactions energy: -1610.896
where: short stacking energy: -698.320
Base-Backbone interact. energy: -2.400
local terms energy: -716.828568
where:
bonds (distance) C4'-P energy: -126.253
bonds (distance) P-C4' energy: -125.624
flat angles C4'-P-C4' energy: -157.808
flat angles P-C4'-P energy: -102.060
tors. eta vs tors. theta energy: -205.082
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: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2252.802340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.802340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.802340 (E_RNA)
where:
Base-Base interactions energy: -1517.824
where: short stacking energy: -664.459
Base-Backbone interact. energy: -0.725
local terms energy: -734.252563
where:
bonds (distance) C4'-P energy: -125.551
bonds (distance) P-C4' energy: -140.263
flat angles C4'-P-C4' energy: -161.092
flat angles P-C4'-P energy: -101.572
tors. eta vs tors. theta energy: -205.776
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: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2189.111115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.111115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.111115 (E_RNA)
where:
Base-Base interactions energy: -1543.238
where: short stacking energy: -657.988
Base-Backbone interact. energy: -0.038
local terms energy: -645.834651
where:
bonds (distance) C4'-P energy: -127.000
bonds (distance) P-C4' energy: -110.054
flat angles C4'-P-C4' energy: -136.642
flat angles P-C4'-P energy: -86.105
tors. eta vs tors. theta energy: -186.034
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: 4, replica: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2023.607824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.607824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.607824 (E_RNA)
where:
Base-Base interactions energy: -1387.979
where: short stacking energy: -581.537
Base-Backbone interact. energy: -2.463
local terms energy: -633.165720
where:
bonds (distance) C4'-P energy: -102.215
bonds (distance) P-C4' energy: -125.822
flat angles C4'-P-C4' energy: -139.175
flat angles P-C4'-P energy: -102.390
tors. eta vs tors. theta energy: -163.564
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: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1930.162325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.162325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.162325 (E_RNA)
where:
Base-Base interactions energy: -1311.032
where: short stacking energy: -586.573
Base-Backbone interact. energy: -1.851
local terms energy: -617.278511
where:
bonds (distance) C4'-P energy: -113.104
bonds (distance) P-C4' energy: -116.379
flat angles C4'-P-C4' energy: -123.160
flat angles P-C4'-P energy: -88.437
tors. eta vs tors. theta energy: -176.199
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: 494
Temperature: 1.150000
Total energy: -1715.014750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.014750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.014750 (E_RNA)
where:
Base-Base interactions energy: -1149.607
where: short stacking energy: -511.126
Base-Backbone interact. energy: 1.746
local terms energy: -567.153259
where:
bonds (distance) C4'-P energy: -114.175
bonds (distance) P-C4' energy: -118.956
flat angles C4'-P-C4' energy: -119.254
flat angles P-C4'-P energy: -81.840
tors. eta vs tors. theta energy: -132.929
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: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1479.822814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.822814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.822814 (E_RNA)
where:
Base-Base interactions energy: -934.490
where: short stacking energy: -453.971
Base-Backbone interact. energy: 0.647
local terms energy: -545.979347
where:
bonds (distance) C4'-P energy: -120.072
bonds (distance) P-C4' energy: -126.598
flat angles C4'-P-C4' energy: -122.808
flat angles P-C4'-P energy: -65.922
tors. eta vs tors. theta energy: -110.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1356.653363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.653363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.653363 (E_RNA)
where:
Base-Base interactions energy: -880.042
where: short stacking energy: -400.182
Base-Backbone interact. energy: -1.465
local terms energy: -475.146580
where:
bonds (distance) C4'-P energy: -101.980
bonds (distance) P-C4' energy: -122.555
flat angles C4'-P-C4' energy: -113.611
flat angles P-C4'-P energy: -69.833
tors. eta vs tors. theta energy: -67.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1064.286595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.286595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.286595 (E_RNA)
where:
Base-Base interactions energy: -649.568
where: short stacking energy: -304.317
Base-Backbone interact. energy: -1.307
local terms energy: -413.411881
where:
bonds (distance) C4'-P energy: -89.051
bonds (distance) P-C4' energy: -101.920
flat angles C4'-P-C4' energy: -109.700
flat angles P-C4'-P energy: -61.998
tors. eta vs tors. theta energy: -50.744
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: 8
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -866.392393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.392393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.392393 (E_RNA)
where:
Base-Base interactions energy: -491.392
where: short stacking energy: -262.132
Base-Backbone interact. energy: -0.244
local terms energy: -374.756066
where:
bonds (distance) C4'-P energy: -106.693
bonds (distance) P-C4' energy: -109.481
flat angles C4'-P-C4' energy: -93.754
flat angles P-C4'-P energy: -53.036
tors. eta vs tors. theta energy: -11.792
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: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2312.429384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.429384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.429384 (E_RNA)
where:
Base-Base interactions energy: -1572.565
where: short stacking energy: -680.662
Base-Backbone interact. energy: -2.108
local terms energy: -737.756078
where:
bonds (distance) C4'-P energy: -132.739
bonds (distance) P-C4' energy: -134.809
flat angles C4'-P-C4' energy: -150.349
flat angles P-C4'-P energy: -112.093
tors. eta vs tors. theta energy: -207.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2239.340209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.340209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.340209 (E_RNA)
where:
Base-Base interactions energy: -1536.230
where: short stacking energy: -668.419
Base-Backbone interact. energy: -1.192
local terms energy: -701.918963
where:
bonds (distance) C4'-P energy: -127.724
bonds (distance) P-C4' energy: -135.630
flat angles C4'-P-C4' energy: -149.167
flat angles P-C4'-P energy: -96.351
tors. eta vs tors. theta energy: -193.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2224.327584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.327584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.327584 (E_RNA)
where:
Base-Base interactions energy: -1521.105
where: short stacking energy: -662.249
Base-Backbone interact. energy: -1.685
local terms energy: -701.537504
where:
bonds (distance) C4'-P energy: -118.172
bonds (distance) P-C4' energy: -119.290
flat angles C4'-P-C4' energy: -145.977
flat angles P-C4'-P energy: -108.864
tors. eta vs tors. theta energy: -209.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2065.406074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.406074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.406074 (E_RNA)
where:
Base-Base interactions energy: -1403.126
where: short stacking energy: -610.011
Base-Backbone interact. energy: -1.091
local terms energy: -661.188857
where:
bonds (distance) C4'-P energy: -126.581
bonds (distance) P-C4' energy: -130.591
flat angles C4'-P-C4' energy: -145.063
flat angles P-C4'-P energy: -90.032
tors. eta vs tors. theta energy: -168.921
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: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1923.781954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.781954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.781954 (E_RNA)
where:
Base-Base interactions energy: -1294.152
where: short stacking energy: -572.406
Base-Backbone interact. energy: -0.798
local terms energy: -628.831634
where:
bonds (distance) C4'-P energy: -122.909
bonds (distance) P-C4' energy: -124.148
flat angles C4'-P-C4' energy: -127.716
flat angles P-C4'-P energy: -77.121
tors. eta vs tors. theta energy: -176.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1709.367018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.367018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.367018 (E_RNA)
where:
Base-Base interactions energy: -1147.997
where: short stacking energy: -507.756
Base-Backbone interact. energy: -1.862
local terms energy: -559.508163
where:
bonds (distance) C4'-P energy: -115.862
bonds (distance) P-C4' energy: -115.998
flat angles C4'-P-C4' energy: -103.937
flat angles P-C4'-P energy: -87.480
tors. eta vs tors. theta energy: -136.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1499.471258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.471258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.471258 (E_RNA)
where:
Base-Base interactions energy: -975.698
where: short stacking energy: -426.569
Base-Backbone interact. energy: 0.064
local terms energy: -523.837378
where:
bonds (distance) C4'-P energy: -96.536
bonds (distance) P-C4' energy: -102.552
flat angles C4'-P-C4' energy: -125.525
flat angles P-C4'-P energy: -82.953
tors. eta vs tors. theta energy: -116.272
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: 8, replica: 2
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1274.477973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.477973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.477973 (E_RNA)
where:
Base-Base interactions energy: -803.546
where: short stacking energy: -357.222
Base-Backbone interact. energy: 0.155
local terms energy: -471.087171
where:
bonds (distance) C4'-P energy: -102.536
bonds (distance) P-C4' energy: -103.120
flat angles C4'-P-C4' energy: -119.676
flat angles P-C4'-P energy: -69.343
tors. eta vs tors. theta energy: -76.413
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: 495
Temperature: 1.300000
Total energy: -1065.462146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.462146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.462146 (E_RNA)
where:
Base-Base interactions energy: -641.391
where: short stacking energy: -292.096
Base-Backbone interact. energy: -1.908
local terms energy: -422.162825
where:
bonds (distance) C4'-P energy: -105.960
bonds (distance) P-C4' energy: -97.966
flat angles C4'-P-C4' energy: -102.886
flat angles P-C4'-P energy: -68.903
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: 10, replica: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -843.410247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.410247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.410247 (E_RNA)
where:
Base-Base interactions energy: -508.077
where: short stacking energy: -222.340
Base-Backbone interact. energy: 3.594
local terms energy: -338.927624
where:
bonds (distance) C4'-P energy: -104.002
bonds (distance) P-C4' energy: -109.524
flat angles C4'-P-C4' energy: -81.850
flat angles P-C4'-P energy: -42.965
tors. eta vs tors. theta energy: -0.586
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: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2332.524438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.524438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.524438 (E_RNA)
where:
Base-Base interactions energy: -1594.770
where: short stacking energy: -704.258
Base-Backbone interact. energy: 0.281
local terms energy: -738.035679
where:
bonds (distance) C4'-P energy: -126.829
bonds (distance) P-C4' energy: -145.087
flat angles C4'-P-C4' energy: -155.291
flat angles P-C4'-P energy: -95.858
tors. eta vs tors. theta energy: -214.971
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: 2, replica: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2263.718886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.718886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.718886 (E_RNA)
where:
Base-Base interactions energy: -1546.074
where: short stacking energy: -654.775
Base-Backbone interact. energy: -2.996
local terms energy: -714.648902
where:
bonds (distance) C4'-P energy: -136.272
bonds (distance) P-C4' energy: -132.444
flat angles C4'-P-C4' energy: -154.693
flat angles P-C4'-P energy: -95.085
tors. eta vs tors. theta energy: -196.156
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: 496
Temperature: 1.000000
Total energy: -2181.342885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.342885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.342885 (E_RNA)
where:
Base-Base interactions energy: -1469.369
where: short stacking energy: -634.277
Base-Backbone interact. energy: -3.140
local terms energy: -708.833716
where:
bonds (distance) C4'-P energy: -133.428
bonds (distance) P-C4' energy: -129.848
flat angles C4'-P-C4' energy: -152.288
flat angles P-C4'-P energy: -92.593
tors. eta vs tors. theta energy: -200.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2025.528889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.528889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.528889 (E_RNA)
where:
Base-Base interactions energy: -1370.151
where: short stacking energy: -597.840
Base-Backbone interact. energy: -2.130
local terms energy: -653.247741
where:
bonds (distance) C4'-P energy: -134.372
bonds (distance) P-C4' energy: -114.538
flat angles C4'-P-C4' energy: -143.915
flat angles P-C4'-P energy: -90.541
tors. eta vs tors. theta energy: -169.882
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: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1919.880855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.880855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.880855 (E_RNA)
where:
Base-Base interactions energy: -1311.418
where: short stacking energy: -563.156
Base-Backbone interact. energy: -1.184
local terms energy: -607.278841
where:
bonds (distance) C4'-P energy: -97.150
bonds (distance) P-C4' energy: -121.875
flat angles C4'-P-C4' energy: -128.663
flat angles P-C4'-P energy: -89.535
tors. eta vs tors. theta energy: -170.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1697.278130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.278130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.278130 (E_RNA)
where:
Base-Base interactions energy: -1131.468
where: short stacking energy: -482.676
Base-Backbone interact. energy: -2.078
local terms energy: -563.732236
where:
bonds (distance) C4'-P energy: -108.932
bonds (distance) P-C4' energy: -129.168
flat angles C4'-P-C4' energy: -120.003
flat angles P-C4'-P energy: -74.066
tors. eta vs tors. theta energy: -131.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1540.901330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.901330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.901330 (E_RNA)
where:
Base-Base interactions energy: -1010.362
where: short stacking energy: -443.182
Base-Backbone interact. energy: -1.993
local terms energy: -528.547154
where:
bonds (distance) C4'-P energy: -117.834
bonds (distance) P-C4' energy: -112.370
flat angles C4'-P-C4' energy: -131.090
flat angles P-C4'-P energy: -61.310
tors. eta vs tors. theta energy: -105.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1261.709696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.709696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.709696 (E_RNA)
where:
Base-Base interactions energy: -750.522
where: short stacking energy: -355.941
Base-Backbone interact. energy: -0.136
local terms energy: -511.051658
where:
bonds (distance) C4'-P energy: -116.943
bonds (distance) P-C4' energy: -119.486
flat angles C4'-P-C4' energy: -117.558
flat angles P-C4'-P energy: -86.227
tors. eta vs tors. theta energy: -70.837
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: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1086.401983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.401983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.401983 (E_RNA)
where:
Base-Base interactions energy: -677.811
where: short stacking energy: -304.961
Base-Backbone interact. energy: -2.055
local terms energy: -406.535974
where:
bonds (distance) C4'-P energy: -98.245
bonds (distance) P-C4' energy: -104.824
flat angles C4'-P-C4' energy: -104.548
flat angles P-C4'-P energy: -58.141
tors. eta vs tors. theta energy: -40.779
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: 496
Temperature: 1.350000
Total energy: -910.945478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.945478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.945478 (E_RNA)
where:
Base-Base interactions energy: -507.531
where: short stacking energy: -248.185
Base-Backbone interact. energy: -0.967
local terms energy: -402.446841
where:
bonds (distance) C4'-P energy: -106.186
bonds (distance) P-C4' energy: -115.524
flat angles C4'-P-C4' energy: -97.394
flat angles P-C4'-P energy: -64.700
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2345.523137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.523137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.523137 (E_RNA)
where:
Base-Base interactions energy: -1586.940
where: short stacking energy: -685.610
Base-Backbone interact. energy: -6.553
local terms energy: -752.030402
where:
bonds (distance) C4'-P energy: -142.799
bonds (distance) P-C4' energy: -137.076
flat angles C4'-P-C4' energy: -153.210
flat angles P-C4'-P energy: -106.278
tors. eta vs tors. theta energy: -212.669
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: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2236.858076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.858076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.858076 (E_RNA)
where:
Base-Base interactions energy: -1523.654
where: short stacking energy: -677.960
Base-Backbone interact. energy: -3.438
local terms energy: -709.765893
where:
bonds (distance) C4'-P energy: -129.129
bonds (distance) P-C4' energy: -131.848
flat angles C4'-P-C4' energy: -147.797
flat angles P-C4'-P energy: -95.113
tors. eta vs tors. theta energy: -205.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2220.485948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.485948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.485948 (E_RNA)
where:
Base-Base interactions energy: -1540.681
where: short stacking energy: -662.628
Base-Backbone interact. energy: -1.975
local terms energy: -677.829337
where:
bonds (distance) C4'-P energy: -118.886
bonds (distance) P-C4' energy: -139.642
flat angles C4'-P-C4' energy: -143.994
flat angles P-C4'-P energy: -90.036
tors. eta vs tors. theta energy: -185.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2039.232333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.232333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.232333 (E_RNA)
where:
Base-Base interactions energy: -1385.477
where: short stacking energy: -583.212
Base-Backbone interact. energy: 1.002
local terms energy: -654.757200
where:
bonds (distance) C4'-P energy: -127.374
bonds (distance) P-C4' energy: -135.237
flat angles C4'-P-C4' energy: -136.282
flat angles P-C4'-P energy: -90.500
tors. eta vs tors. theta energy: -165.365
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: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1946.605245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.605245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.605245 (E_RNA)
where:
Base-Base interactions energy: -1279.960
where: short stacking energy: -569.861
Base-Backbone interact. energy: 0.015
local terms energy: -666.660309
where:
bonds (distance) C4'-P energy: -128.811
bonds (distance) P-C4' energy: -133.702
flat angles C4'-P-C4' energy: -134.330
flat angles P-C4'-P energy: -90.517
tors. eta vs tors. theta energy: -179.301
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: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1748.080162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.080162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.080162 (E_RNA)
where:
Base-Base interactions energy: -1192.474
where: short stacking energy: -526.948
Base-Backbone interact. energy: 5.118
local terms energy: -560.724399
where:
bonds (distance) C4'-P energy: -104.831
bonds (distance) P-C4' energy: -123.490
flat angles C4'-P-C4' energy: -126.472
flat angles P-C4'-P energy: -66.292
tors. eta vs tors. theta energy: -139.639
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: 7, replica: 4
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1542.778298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.778298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.778298 (E_RNA)
where:
Base-Base interactions energy: -1016.633
where: short stacking energy: -450.288
Base-Backbone interact. energy: -1.557
local terms energy: -524.588476
where:
bonds (distance) C4'-P energy: -106.680
bonds (distance) P-C4' energy: -111.374
flat angles C4'-P-C4' energy: -109.936
flat angles P-C4'-P energy: -84.951
tors. eta vs tors. theta energy: -111.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1225.311592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.311592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.311592 (E_RNA)
where:
Base-Base interactions energy: -774.271
where: short stacking energy: -347.836
Base-Backbone interact. energy: 6.534
local terms energy: -457.575114
where:
bonds (distance) C4'-P energy: -101.969
bonds (distance) P-C4' energy: -114.758
flat angles C4'-P-C4' energy: -103.990
flat angles P-C4'-P energy: -68.261
tors. eta vs tors. theta energy: -68.598
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: 497
Temperature: 1.300000
Total energy: -1114.060332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.060332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.060332 (E_RNA)
where:
Base-Base interactions energy: -649.754
where: short stacking energy: -304.690
Base-Backbone interact. energy: -1.304
local terms energy: -463.002210
where:
bonds (distance) C4'-P energy: -128.047
bonds (distance) P-C4' energy: -123.463
flat angles C4'-P-C4' energy: -108.700
flat angles P-C4'-P energy: -71.260
tors. eta vs tors. theta energy: -31.532
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: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -843.843699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.843699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.843699 (E_RNA)
where:
Base-Base interactions energy: -461.143
where: short stacking energy: -232.828
Base-Backbone interact. energy: -1.410
local terms energy: -381.290655
where:
bonds (distance) C4'-P energy: -120.440
bonds (distance) P-C4' energy: -102.066
flat angles C4'-P-C4' energy: -75.481
flat angles P-C4'-P energy: -64.370
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2329.637751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.637751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.637751 (E_RNA)
where:
Base-Base interactions energy: -1588.484
where: short stacking energy: -676.089
Base-Backbone interact. energy: -2.913
local terms energy: -738.240559
where:
bonds (distance) C4'-P energy: -128.097
bonds (distance) P-C4' energy: -136.448
flat angles C4'-P-C4' energy: -156.474
flat angles P-C4'-P energy: -106.063
tors. eta vs tors. theta energy: -211.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2276.959864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.959864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.959864 (E_RNA)
where:
Base-Base interactions energy: -1550.132
where: short stacking energy: -685.364
Base-Backbone interact. energy: -3.034
local terms energy: -723.793558
where:
bonds (distance) C4'-P energy: -142.112
bonds (distance) P-C4' energy: -127.120
flat angles C4'-P-C4' energy: -144.652
flat angles P-C4'-P energy: -105.004
tors. eta vs tors. theta energy: -204.905
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: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2187.984798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.984798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.984798 (E_RNA)
where:
Base-Base interactions energy: -1520.721
where: short stacking energy: -645.305
Base-Backbone interact. energy: -1.684
local terms energy: -665.579705
where:
bonds (distance) C4'-P energy: -124.109
bonds (distance) P-C4' energy: -122.936
flat angles C4'-P-C4' energy: -139.466
flat angles P-C4'-P energy: -90.054
tors. eta vs tors. theta energy: -189.015
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: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2064.371777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.371777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.371777 (E_RNA)
where:
Base-Base interactions energy: -1435.590
where: short stacking energy: -608.130
Base-Backbone interact. energy: 0.642
local terms energy: -629.424272
where:
bonds (distance) C4'-P energy: -103.326
bonds (distance) P-C4' energy: -121.702
flat angles C4'-P-C4' energy: -139.263
flat angles P-C4'-P energy: -85.182
tors. eta vs tors. theta energy: -179.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1964.046528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.046528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.046528 (E_RNA)
where:
Base-Base interactions energy: -1333.106
where: short stacking energy: -586.909
Base-Backbone interact. energy: -1.811
local terms energy: -629.129962
where:
bonds (distance) C4'-P energy: -113.712
bonds (distance) P-C4' energy: -117.364
flat angles C4'-P-C4' energy: -128.736
flat angles P-C4'-P energy: -92.124
tors. eta vs tors. theta energy: -177.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1747.002787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.002787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.002787 (E_RNA)
where:
Base-Base interactions energy: -1162.258
where: short stacking energy: -531.089
Base-Backbone interact. energy: -0.038
local terms energy: -584.707109
where:
bonds (distance) C4'-P energy: -109.448
bonds (distance) P-C4' energy: -121.203
flat angles C4'-P-C4' energy: -122.693
flat angles P-C4'-P energy: -82.103
tors. eta vs tors. theta energy: -149.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1524.673148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.673148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.673148 (E_RNA)
where:
Base-Base interactions energy: -1000.128
where: short stacking energy: -458.172
Base-Backbone interact. energy: 6.061
local terms energy: -530.605968
where:
bonds (distance) C4'-P energy: -100.668
bonds (distance) P-C4' energy: -113.096
flat angles C4'-P-C4' energy: -122.464
flat angles P-C4'-P energy: -77.631
tors. eta vs tors. theta energy: -116.747
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: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1254.747763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.747763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.747763 (E_RNA)
where:
Base-Base interactions energy: -773.648
where: short stacking energy: -368.441
Base-Backbone interact. energy: -0.773
local terms energy: -480.326726
where:
bonds (distance) C4'-P energy: -122.585
bonds (distance) P-C4' energy: -114.989
flat angles C4'-P-C4' energy: -114.197
flat angles P-C4'-P energy: -71.152
tors. eta vs tors. theta energy: -57.403
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: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1121.846089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.846089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.846089 (E_RNA)
where:
Base-Base interactions energy: -691.784
where: short stacking energy: -319.722
Base-Backbone interact. energy: 0.577
local terms energy: -430.639489
where:
bonds (distance) C4'-P energy: -106.027
bonds (distance) P-C4' energy: -102.698
flat angles C4'-P-C4' energy: -117.971
flat angles P-C4'-P energy: -69.188
tors. eta vs tors. theta energy: -34.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -874.182659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.182659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.182659 (E_RNA)
where:
Base-Base interactions energy: -476.545
where: short stacking energy: -231.508
Base-Backbone interact. energy: 4.545
local terms energy: -402.183252
where:
bonds (distance) C4'-P energy: -103.731
bonds (distance) P-C4' energy: -126.193
flat angles C4'-P-C4' energy: -105.095
flat angles P-C4'-P energy: -53.704
tors. eta vs tors. theta energy: -13.460
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: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2333.800388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.800388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.800388 (E_RNA)
where:
Base-Base interactions energy: -1594.169
where: short stacking energy: -698.820
Base-Backbone interact. energy: 1.236
local terms energy: -740.867562
where:
bonds (distance) C4'-P energy: -138.466
bonds (distance) P-C4' energy: -133.134
flat angles C4'-P-C4' energy: -160.658
flat angles P-C4'-P energy: -94.710
tors. eta vs tors. theta energy: -213.899
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: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2283.290359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.290359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.290359 (E_RNA)
where:
Base-Base interactions energy: -1578.522
where: short stacking energy: -689.358
Base-Backbone interact. energy: 1.273
local terms energy: -706.041659
where:
bonds (distance) C4'-P energy: -107.246
bonds (distance) P-C4' energy: -138.745
flat angles C4'-P-C4' energy: -154.899
flat angles P-C4'-P energy: -99.060
tors. eta vs tors. theta energy: -206.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2208.265942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.265942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.265942 (E_RNA)
where:
Base-Base interactions energy: -1530.150
where: short stacking energy: -676.090
Base-Backbone interact. energy: -1.027
local terms energy: -677.089023
where:
bonds (distance) C4'-P energy: -103.013
bonds (distance) P-C4' energy: -120.188
flat angles C4'-P-C4' energy: -149.244
flat angles P-C4'-P energy: -92.864
tors. eta vs tors. theta energy: -211.779
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: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2053.593746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.593746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.593746 (E_RNA)
where:
Base-Base interactions energy: -1388.637
where: short stacking energy: -606.096
Base-Backbone interact. energy: -3.424
local terms energy: -661.532412
where:
bonds (distance) C4'-P energy: -128.450
bonds (distance) P-C4' energy: -120.314
flat angles C4'-P-C4' energy: -151.111
flat angles P-C4'-P energy: -92.115
tors. eta vs tors. theta energy: -169.542
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: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2013.400159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.400159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.400159 (E_RNA)
where:
Base-Base interactions energy: -1357.601
where: short stacking energy: -603.577
Base-Backbone interact. energy: -0.127
local terms energy: -655.672652
where:
bonds (distance) C4'-P energy: -117.167
bonds (distance) P-C4' energy: -130.014
flat angles C4'-P-C4' energy: -137.529
flat angles P-C4'-P energy: -87.698
tors. eta vs tors. theta energy: -183.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1835.837663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.837663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.837663 (E_RNA)
where:
Base-Base interactions energy: -1220.611
where: short stacking energy: -538.505
Base-Backbone interact. energy: 0.477
local terms energy: -615.703948
where:
bonds (distance) C4'-P energy: -115.117
bonds (distance) P-C4' energy: -122.408
flat angles C4'-P-C4' energy: -127.682
flat angles P-C4'-P energy: -89.658
tors. eta vs tors. theta energy: -160.840
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: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1548.069780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.069780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.069780 (E_RNA)
where:
Base-Base interactions energy: -1048.185
where: short stacking energy: -475.152
Base-Backbone interact. energy: -1.632
local terms energy: -498.253353
where:
bonds (distance) C4'-P energy: -104.297
bonds (distance) P-C4' energy: -102.632
flat angles C4'-P-C4' energy: -109.725
flat angles P-C4'-P energy: -70.106
tors. eta vs tors. theta energy: -111.493
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: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1202.373596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.373596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.373596 (E_RNA)
where:
Base-Base interactions energy: -734.534
where: short stacking energy: -352.839
Base-Backbone interact. energy: 0.313
local terms energy: -468.152029
where:
bonds (distance) C4'-P energy: -103.503
bonds (distance) P-C4' energy: -122.075
flat angles C4'-P-C4' energy: -105.841
flat angles P-C4'-P energy: -75.974
tors. eta vs tors. theta energy: -60.759
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: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1166.892721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.892721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.892721 (E_RNA)
where:
Base-Base interactions energy: -707.673
where: short stacking energy: -342.543
Base-Backbone interact. energy: 1.120
local terms energy: -460.339613
where:
bonds (distance) C4'-P energy: -131.118
bonds (distance) P-C4' energy: -104.908
flat angles C4'-P-C4' energy: -94.609
flat angles P-C4'-P energy: -74.943
tors. eta vs tors. theta energy: -54.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -892.265364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.265364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.265364 (E_RNA)
where:
Base-Base interactions energy: -517.844
where: short stacking energy: -247.932
Base-Backbone interact. energy: -0.932
local terms energy: -373.489442
where:
bonds (distance) C4'-P energy: -102.230
bonds (distance) P-C4' energy: -106.911
flat angles C4'-P-C4' energy: -80.939
flat angles P-C4'-P energy: -55.068
tors. eta vs tors. theta energy: -28.340
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: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2323.410473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.410473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.410473 (E_RNA)
where:
Base-Base interactions energy: -1606.669
where: short stacking energy: -692.817
Base-Backbone interact. energy: 0.187
local terms energy: -716.927999
where:
bonds (distance) C4'-P energy: -119.653
bonds (distance) P-C4' energy: -125.523
flat angles C4'-P-C4' energy: -153.533
flat angles P-C4'-P energy: -110.908
tors. eta vs tors. theta energy: -207.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2260.136727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.136727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.136727 (E_RNA)
where:
Base-Base interactions energy: -1556.144
where: short stacking energy: -669.757
Base-Backbone interact. energy: -3.351
local terms energy: -700.641800
where:
bonds (distance) C4'-P energy: -135.851
bonds (distance) P-C4' energy: -122.405
flat angles C4'-P-C4' energy: -150.627
flat angles P-C4'-P energy: -96.236
tors. eta vs tors. theta energy: -195.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2173.350303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.350303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.350303 (E_RNA)
where:
Base-Base interactions energy: -1456.321
where: short stacking energy: -634.765
Base-Backbone interact. energy: 0.537
local terms energy: -717.566013
where:
bonds (distance) C4'-P energy: -130.275
bonds (distance) P-C4' energy: -145.912
flat angles C4'-P-C4' energy: -150.812
flat angles P-C4'-P energy: -97.969
tors. eta vs tors. theta energy: -192.598
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: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2021.409820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.409820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.409820 (E_RNA)
where:
Base-Base interactions energy: -1387.466
where: short stacking energy: -594.811
Base-Backbone interact. energy: 1.211
local terms energy: -635.154307
where:
bonds (distance) C4'-P energy: -107.042
bonds (distance) P-C4' energy: -108.234
flat angles C4'-P-C4' energy: -138.835
flat angles P-C4'-P energy: -107.125
tors. eta vs tors. theta energy: -173.918
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: 5, replica: 3
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1954.521141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.521141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.521141 (E_RNA)
where:
Base-Base interactions energy: -1296.129
where: short stacking energy: -547.333
Base-Backbone interact. energy: -2.169
local terms energy: -656.222932
where:
bonds (distance) C4'-P energy: -121.315
bonds (distance) P-C4' energy: -136.077
flat angles C4'-P-C4' energy: -131.940
flat angles P-C4'-P energy: -95.384
tors. eta vs tors. theta energy: -171.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1726.331963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.331963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.331963 (E_RNA)
where:
Base-Base interactions energy: -1146.848
where: short stacking energy: -480.957
Base-Backbone interact. energy: -1.727
local terms energy: -577.757667
where:
bonds (distance) C4'-P energy: -114.904
bonds (distance) P-C4' energy: -106.087
flat angles C4'-P-C4' energy: -120.528
flat angles P-C4'-P energy: -90.742
tors. eta vs tors. theta energy: -145.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1542.374157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.374157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.374157 (E_RNA)
where:
Base-Base interactions energy: -1000.124
where: short stacking energy: -446.184
Base-Backbone interact. energy: -1.178
local terms energy: -541.072547
where:
bonds (distance) C4'-P energy: -104.243
bonds (distance) P-C4' energy: -127.017
flat angles C4'-P-C4' energy: -117.685
flat angles P-C4'-P energy: -88.443
tors. eta vs tors. theta energy: -103.685
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: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1362.139487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.139487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.139487 (E_RNA)
where:
Base-Base interactions energy: -875.411
where: short stacking energy: -410.515
Base-Backbone interact. energy: 2.384
local terms energy: -489.112459
where:
bonds (distance) C4'-P energy: -108.564
bonds (distance) P-C4' energy: -108.334
flat angles C4'-P-C4' energy: -117.541
flat angles P-C4'-P energy: -63.903
tors. eta vs tors. theta energy: -90.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1159.798057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.798057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.798057 (E_RNA)
where:
Base-Base interactions energy: -712.296
where: short stacking energy: -339.269
Base-Backbone interact. energy: -0.510
local terms energy: -446.991913
where:
bonds (distance) C4'-P energy: -100.158
bonds (distance) P-C4' energy: -111.221
flat angles C4'-P-C4' energy: -102.754
flat angles P-C4'-P energy: -79.096
tors. eta vs tors. theta energy: -53.764
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: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -845.520269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.520269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.520269 (E_RNA)
where:
Base-Base interactions energy: -472.506
where: short stacking energy: -238.675
Base-Backbone interact. energy: 1.339
local terms energy: -374.353130
where:
bonds (distance) C4'-P energy: -95.289
bonds (distance) P-C4' energy: -105.144
flat angles C4'-P-C4' energy: -110.231
flat angles P-C4'-P energy: -48.255
tors. eta vs tors. theta energy: -15.434
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: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2336.372972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.372972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.372972 (E_RNA)
where:
Base-Base interactions energy: -1616.490
where: short stacking energy: -692.295
Base-Backbone interact. energy: -1.500
local terms energy: -718.383295
where:
bonds (distance) C4'-P energy: -124.642
bonds (distance) P-C4' energy: -130.560
flat angles C4'-P-C4' energy: -144.843
flat angles P-C4'-P energy: -108.481
tors. eta vs tors. theta energy: -209.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2253.575302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.575302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.575302 (E_RNA)
where:
Base-Base interactions energy: -1555.273
where: short stacking energy: -670.262
Base-Backbone interact. energy: -5.117
local terms energy: -693.185919
where:
bonds (distance) C4'-P energy: -130.226
bonds (distance) P-C4' energy: -130.437
flat angles C4'-P-C4' energy: -151.019
flat angles P-C4'-P energy: -73.033
tors. eta vs tors. theta energy: -208.472
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: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2172.686280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.686280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.686280 (E_RNA)
where:
Base-Base interactions energy: -1487.908
where: short stacking energy: -636.540
Base-Backbone interact. energy: -1.270
local terms energy: -683.508711
where:
bonds (distance) C4'-P energy: -130.612
bonds (distance) P-C4' energy: -124.729
flat angles C4'-P-C4' energy: -142.806
flat angles P-C4'-P energy: -95.457
tors. eta vs tors. theta energy: -189.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -2021.968201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.968201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.968201 (E_RNA)
where:
Base-Base interactions energy: -1374.810
where: short stacking energy: -613.686
Base-Backbone interact. energy: 1.711
local terms energy: -648.868624
where:
bonds (distance) C4'-P energy: -116.957
bonds (distance) P-C4' energy: -123.055
flat angles C4'-P-C4' energy: -146.078
flat angles P-C4'-P energy: -87.586
tors. eta vs tors. theta energy: -175.193
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: 5, replica: 3
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1989.209641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.209641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.209641 (E_RNA)
where:
Base-Base interactions energy: -1347.683
where: short stacking energy: -573.681
Base-Backbone interact. energy: -3.279
local terms energy: -638.247629
where:
bonds (distance) C4'-P energy: -116.699
bonds (distance) P-C4' energy: -115.462
flat angles C4'-P-C4' energy: -132.242
flat angles P-C4'-P energy: -96.155
tors. eta vs tors. theta energy: -177.689
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: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1747.549504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.549504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.549504 (E_RNA)
where:
Base-Base interactions energy: -1147.537
where: short stacking energy: -479.670
Base-Backbone interact. energy: -0.713
local terms energy: -599.299480
where:
bonds (distance) C4'-P energy: -125.264
bonds (distance) P-C4' energy: -135.090
flat angles C4'-P-C4' energy: -127.344
flat angles P-C4'-P energy: -71.464
tors. eta vs tors. theta energy: -140.137
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: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1573.312671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.312671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.312671 (E_RNA)
where:
Base-Base interactions energy: -1023.745
where: short stacking energy: -442.361
Base-Backbone interact. energy: -1.667
local terms energy: -547.900723
where:
bonds (distance) C4'-P energy: -92.830
bonds (distance) P-C4' energy: -132.151
flat angles C4'-P-C4' energy: -115.502
flat angles P-C4'-P energy: -85.492
tors. eta vs tors. theta energy: -121.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1367.477505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.477505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.477505 (E_RNA)
where:
Base-Base interactions energy: -874.254
where: short stacking energy: -400.955
Base-Backbone interact. energy: -0.609
local terms energy: -492.613779
where:
bonds (distance) C4'-P energy: -95.283
bonds (distance) P-C4' energy: -116.272
flat angles C4'-P-C4' energy: -107.293
flat angles P-C4'-P energy: -83.460
tors. eta vs tors. theta energy: -90.306
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: 9, replica: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1138.483727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.483727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.483727 (E_RNA)
where:
Base-Base interactions energy: -692.867
where: short stacking energy: -319.353
Base-Backbone interact. energy: 2.961
local terms energy: -448.578114
where:
bonds (distance) C4'-P energy: -110.760
bonds (distance) P-C4' energy: -100.849
flat angles C4'-P-C4' energy: -117.479
flat angles P-C4'-P energy: -71.633
tors. eta vs tors. theta energy: -47.858
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: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -771.681773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.681773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.681773 (E_RNA)
where:
Base-Base interactions energy: -431.308
where: short stacking energy: -232.167
Base-Backbone interact. energy: 1.972
local terms energy: -342.344939
where:
bonds (distance) C4'-P energy: -101.107
bonds (distance) P-C4' energy: -108.893
flat angles C4'-P-C4' energy: -68.422
flat angles P-C4'-P energy: -55.221
tors. eta vs tors. theta energy: -8.702
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)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 115583762
moves confirmed later: 127480184
all moves confirmed: 243063946
percent of confirmed moves: 30.382993
current total energy: -2232.518534
recalc. total energy: -2232.518534
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 120823638
moves confirmed later: 134802934
all moves confirmed: 255626572
percent of confirmed moves: 31.953322
current total energy: -2184.060686
recalc. total energy: -2184.060686
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 114002250
moves confirmed later: 125708738
all moves confirmed: 239710988
percent of confirmed moves: 29.963873
current total energy: -2065.643404
recalc. total energy: -2065.643404
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 172662579
moves confirmed later: 202749271
all moves confirmed: 375411850
percent of confirmed moves: 46.926481
current total energy: -1865.530558
recalc. total energy: -1865.530558
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 125852447
moves confirmed later: 140764474
all moves confirmed: 266616921
percent of confirmed moves: 33.327115
current total energy: -1862.415715
recalc. total energy: -1862.415715
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 132711874
moves confirmed later: 149813714
all moves confirmed: 282525588
percent of confirmed moves: 35.315699
current total energy: -1523.579468
recalc. total energy: -1523.579468
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 213081458
moves confirmed later: 256312785
all moves confirmed: 469394243
percent of confirmed moves: 58.674280
current total energy: -1435.513854
recalc. total energy: -1435.513854
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 161464223
moves confirmed later: 186893875
all moves confirmed: 348358098
percent of confirmed moves: 43.544762
current total energy: -1211.339438
recalc. total energy: -1211.339438
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 235206488
moves confirmed later: 284880107
all moves confirmed: 520086595
percent of confirmed moves: 65.010824
current total energy: -976.014584
recalc. total energy: -976.014584
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 173816290
moves confirmed later: 204034787
all moves confirmed: 377851077
percent of confirmed moves: 47.231385
current total energy: -593.870569
recalc. total energy: -593.870569
out arg RESULTS//1/IRES-af47e250_01
Time of doing 8000000 iterations: 45948.453 seconds